SCHEMBL6452095

SCHEMBL6452095

CCn1cc(-c2ccccc2C(=O)O)nc1C=Cc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
TRPA1 O75762 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PPARG P37231 3/20 0.38
GFER P55789 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL1481849 0.82 TLR8 (0.43) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL1481852 0.82 TLR8 (0.43) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL1481909 0.80 POLB (0.46) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1482178 0.80 TLR8 (0.45) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL1481912 0.80 POLB (0.46) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1481444 0.79 NPC1 (0.43) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1481442 0.79 NPC1 (0.43) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1482926 0.76 NPC1 (0.40) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1482925 0.76 NPC1 (0.40) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL1480335 0.73 LMNA (0.40) KDM4EMAPTLMNAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO disclosed