SCHEMBL2776950

SCHEMBL2776950

N=C1CNc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ PLAU P00749 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYBB P04839 1/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ NOX5 Q96PH1 1/20 0.33
▸ NOX4 Q9NPH5 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ MAOA P21397 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30118299 0.75 NOS2 (0.43) NOS2ALOX15HSD17B10JAK2GAA
Dihydrophenanthridine SCHEMBL2087461 0.71 CA12 (0.56) NOS2ALOX15HSD17B10JAK2GAA
SCHEMBL30555345 0.71 NOS2 (0.41) NOS2ALOX15HSD17B10JAK2GAA
SCHEMBL4743689 0.71 ALDH1A1 (0.41) NOS2ALOX15HSD17B10JAK2GAA
SCHEMBL1130729 0.71 NOS2 (0.41) NOS2ALOX15HSD17B10JAK2GAA
SCHEMBL68595 0.71 CA12 (0.45) NOS2ALOX15HSD17B10JAK2GAA
Dihydrophenanthridine SCHEMBL29791568 0.71 CA12 (0.56) NOS2ALOX15HSD17B10JAK2GAA
SCHEMBL17099674 0.71 NOS2 (0.37) NOS2ALOX15HSD17B10JAK2GAA
Hydrochloric Acid SCHEMBL10863156 0.70 CA12 (0.43) NOS2ALOX15HSD17B10JAK2GAA
SCHEMBL27425414 0.70 CA12 (0.54) NOS2ALOX15HSD17B10JAK2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114349684-B Synthetic method of benzo [ c, d ] indole imine derivative 西南林业大学 2023-03-28 — — CN claimed
CN-114716359-B Preparation method of hydrogenated indole imine diastereoisomer 广东医科大学 2023-01-17 — — CN claimed
CN-114716359-A Preparation method of hydrogenated indole imine diastereoisomer 广东医科大学 2022-07-08 — — CN claimed
CN-114349684-A Synthetic method of benzo [ c, d ] indole imine derivative 西南林业大学 2022-04-15 — — CN claimed
US-6835210-B1 Oxidative color dyes are contacted with electrode system; kits UNILEVER HOME & PERSONAL CARE USA, A DIVISION OF CONOPCO, INC. 2004-12-28 — — US claimed
CN-114716359-B Preparation method of hydrogenated indole imine diastereoisomer 广东医科大学 2023-01-17 — — CN disclosed
CN-114716359-B Preparation method of hydrogenated indole imine diastereoisomer 广东医科大学 2023-01-17 — — CN disclosed
CN-114716359-B Preparation method of hydrogenated indole imine diastereoisomer 广东医科大学 2023-01-17 — — CN disclosed
CN-114716359-A Preparation method of hydrogenated indole imine diastereoisomer 广东医科大学 2022-07-08 — — CN disclosed
CN-114716359-A Preparation method of hydrogenated indole imine diastereoisomer 广东医科大学 2022-07-08 — — CN disclosed
CN-114716359-A Preparation method of hydrogenated indole imine diastereoisomer 广东医科大学 2022-07-08 — — CN disclosed
CN-112979648-A Synthesis method of gamma-carboline derivative 江汉大学 2021-06-18 — — CN disclosed
US-5087562-A Treatment of hypercalcemia of malignancy, osteoporosis, and hyperparathyrodism MERCK & CO., INC. (US) 1992-02-11 — — US disclosed
US-5087561-A For bioassay or therapy MERCK & CO., INC. (US) 1992-02-11 — — US disclosed
US-4968669-A HYPERCALCEMIA MERCK & CO., INC. (US) 1990-11-06 — — US disclosed
EP-0341963-A2 Parathyroid hormone antagonists MERCK & CO. INC. (US) 1989-11-15 — — EP disclosed
EP-0341962-A2 Humoral hypercalcemic factor antagonists MERCK & CO. INC. (US) 1989-11-15 — — EP disclosed
EP-0293158-A2 Parathyroid hormone antagonists MERCK & CO. INC. (US) 1988-11-30 — — EP disclosed
EP-0293159-A2 Parathyroid hormone antagonists with simplified synthetic methodology MERCK & CO. INC. (US) 1988-11-30 — — EP disclosed
US-4771124-A Parathyroid hormone antagonists with simplified synthetic methodology MERCK & CO., INC. (US) 1988-09-13 — — US disclosed
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