SCHEMBL10822753

SCHEMBL10822753

Nc1nc(NC(=O)c2cccnc2)nc(-c2ccc3ccccc3c2O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 1/20 0.47
▸ ABCC8 Q09428 1/20 0.47
▸ KCNJ11 Q14654 1/20 0.47
▸ KCNJ8 Q15842 1/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HDAC3 O15379 3/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RRM1 P23921 1/20 0.45
▸ KLF5 Q13887 1/20 0.45
▸ ATM Q13315 1/20 0.43
▸ LMNA P02545 2/20 0.42

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
SCHEMBL10483542 0.88 ALDH1A1 (0.51) ABCC9ABCC8KCNJ11KCNJ8RAB9A
SCHEMBL10822593 0.84 NPC1 (0.48) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10822457 0.84 HSD17B10 (0.48) ABCC9ABCC8KCNJ11KCNJ8RAB9A
SCHEMBL10822388 0.81 MAPT (0.53) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9566451 0.80 SMN1; SMN2 (0.56) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9566406 0.80 HDAC1 (0.53) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11591085 0.80 HDAC1 (0.60) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11591466 0.80 HDAC1 (0.60) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10483431 0.80 NPC1 (0.51) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10483366 0.80 NPC1 (0.51) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4593025-A A 2-naphthyl-4,6-diamino-s-triazine compound NIPPON SHINYAKU CO., LTD. (JP) 1986-06-03 — — US claimed
US-4554275-A Triazine derivatives NIPPON SHINYAKU CO., LTD. (JP) 1985-11-19 — — US claimed
US-4593025-A A 2-naphthyl-4,6-diamino-s-triazine compound NIPPON SHINYAKU CO., LTD. (JP) 1986-06-03 — — US disclosed
US-4554275-A Triazine derivatives NIPPON SHINYAKU CO., LTD. (JP) 1985-11-19 — — US disclosed
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