SCHEMBL459642

SCHEMBL459642

CC(n1ccnc1)n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 8/20 0.48
▸ CYP17A1 P05093 7/20 0.46
▸ NFKB1 P19838 1/20 0.43
▸ QPCT Q16769 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ QPCTL Q9NXS2 1/20 0.43
▸ CYP26A1 O43174 1/20 0.43
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL86131 0.83 — —
SCHEMBL2990565 0.81 — —
Bromide SCHEMBL10990647 0.81 — —
Hydrochloric Acid SCHEMBL4251018 0.81 — —
Fluoride SCHEMBL28816395 0.81 — —
SCHEMBL17902707 0.79 — —
SCHEMBL6271157 0.79 — —
SCHEMBL76770 0.79 — —
SCHEMBL21900876 0.79 CYP19A1 (0.50) CYP19A1CYP17A1NFKB1QPCTHSD17B10
SCHEMBL22604081 0.79 CYP19A1 (0.50) CYP19A1CYP17A1NFKB1QPCTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113463074-B Copper deposition composition and copper deposition method 广东硕成科技股份有限公司 2022-06-14 — — CN claimed
CN-116332853-A Nitrogen heterocyclic Gemini ionic liquid surfactant, synthesis method thereof and oil displacement system 东北石油大学 2023-06-27 — — CN disclosed
CN-110683991-B Gemini ionic liquid surfactant, synthesis method thereof and oil displacement system 东北石油大学 2023-05-09 — — CN disclosed
CN-110683991-A Gemini ionic liquid surfactant, synthetic method thereof and oil displacement system 东北石油大学 2020-01-14 — — CN disclosed
EP-2613754-A1 CURABLE COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M Innovative Properties Company (US) 2013-07-17 — — EP disclosed
WO-2012033633-A1 CURABLE COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-15 — — WO disclosed
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