SCHEMBL3348427

SCHEMBL3348427

COC(=O)c1ccc(-c2cccs2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.58
▸ TNFRSF1A P19438 2/20 0.51
▸ ACLY P53396 1/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HDAC1 Q13547 6/20 0.46
▸ HDAC2 Q92769 6/20 0.46
▸ HDAC3 O15379 4/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ ERN1 O75460 1/20 0.45
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL13363241 0.83 NR4A2 (0.58) NR4A2NPC1MAPTKDM4EHDAC1
SCHEMBL4652841 0.82 PTPN1 (0.51) TNFRSF1AACLYKDM4EHDAC1HDAC2
SCHEMBL20235825 0.81 NR4A2 (0.60) NR4A2KMT2AMEN1NPC1MAPT
SCHEMBL21798966 0.80 HDAC1 (0.59) NR4A2NPC1MAPTKDM4EHDAC1
SCHEMBL4685813 0.80 NR4A2 (0.62) NR4A2TNFRSF1AKMT2AMEN1KDM4E
SCHEMBL4225433 0.80 NR4A2 (0.50) NR4A2TNFRSF1AACLYKMT2AMAPT
SCHEMBL27272859 0.79 HDAC4 (0.42) NR4A2NPC1L3MBTL1RAB9AHDAC4
SCHEMBL30987649 0.79 HDAC4 (0.42) NR4A2NPC1L3MBTL1RAB9AHDAC4
SCHEMBL10331368 0.78 HPGD (0.41) NR4A2KMT2AMEN1NPC1MAPT
SCHEMBL4651623 0.77 NR4A2 (0.55) NR4A2ACLYKMT2AMEN1MAPT

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
WO-2010057899-A1 CYCLOALKYL AMINO CARBONYL DERIVATIVES AS BRADYKININ-B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 — — WO disclosed
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