SCHEMBL30706505

SCHEMBL30706505

O=C(c1ccc(OC(F)(F)F)cc1)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.62
▸ CYP11B2 P19099 1/20 0.62
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ ABL1 P00519 6/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ KMT2A Q03164 4/20 0.52
▸ ATM Q13315 1/20 0.52
▸ EPHX2 P34913 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ THRB P10828 1/20 0.49
▸ TLR7 Q9NYK1 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL11433498 0.87 CYP11B1 (0.52) CYP11B1CYP11B2NPC1RAB9AABL1
SCHEMBL12700407 0.83 NPC1 (0.56) CYP11B1CYP11B2NPC1RAB9AABL1
SCHEMBL3537983 0.82 NPC1 (0.59) CYP11B1CYP11B2NPC1RAB9AABL1
SCHEMBL4602009 0.82 ELANE (0.56) CYP11B1CYP11B2NPC1RAB9AEPHX2
SCHEMBL4475347 0.82 NPC1 (0.60) CYP11B1CYP11B2NPC1RAB9AEPHX2
Hydrochloric Acid SCHEMBL3541282 0.81 NPC1 (0.57) CYP11B1CYP11B2NPC1RAB9AABL1
SCHEMBL11433501 0.80 KMT2A (0.45) CYP11B1CYP11B2RAB9AKMT2AATM
SCHEMBL6122991 0.80 ABL1 (0.76) NPC1RAB9AABL1OPRM1KCNH2
Hydrochloric Acid SCHEMBL3539826 0.80 NPC1 (0.58) CYP11B1CYP11B2NPC1RAB9AEPHX2
SCHEMBL9520820 0.80 KMT2A (0.69) CYP11B1CYP11B2RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362289-A Novel method for synthesizing 3-acyl imidazo [1,5-a ] pyridine compound 上海应用技术大学 2024-01-09 — — CN disclosed
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