SCHEMBL7436637

SCHEMBL7436637

NC(=O)c1nc(-c2cccc(F)c2)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
MEN1 O00255 2/20 0.63
MAPT P10636 2/20 0.63
KMT2A Q03164 2/20 0.63
CYP2C9 P11712 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
SCN9A Q15858 1/20 0.58
HPGDS O60760 1/20 0.52
ALDH1A1 P00352 3/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MAP3K14 Q99558 1/20 0.47
KMO O15229 2/20 0.46
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
FYN P06241 1/20 0.44
CYP1A2 P05177 2/20 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
SCHEMBL31401008 0.87 KDM4E (0.60) KDM4EMEN1MAPTKMT2ACYP2C9
SCHEMBL7442976 0.84 SCN9A (0.62) KDM4EMEN1MAPTKMT2ACYP2C9
SCHEMBL7088488 0.84 TSHR (0.59) KDM4EMEN1MAPTKMT2ACYP2C9
SCHEMBL7429814 0.83 KDM4E (0.60) KDM4EMEN1MAPTKMT2ACYP2C9
SCHEMBL7436415 0.82 MAPT (0.63) KDM4EMEN1MAPTKMT2ACYP2C9
SCHEMBL6660829 0.82 ATP4A (0.60) KDM4EMEN1MAPTKMT2ACYP2C9
SCHEMBL6664214 0.82 ATP4A (0.60) MEN1MAPTKMT2ACYP2C9CYP3A4
SCHEMBL7440522 0.82 CYP3A4 (0.61) KDM4EMEN1MAPTKMT2ACYP2C9
SCHEMBL4640043 0.81 ALOX5 (0.59) KDM4EMEN1MAPTKMT2ACYP2C9
SCHEMBL168593 0.81 ALDH1A1 (0.56) KDM4EMEN1MAPTKMT2ACYP2C9

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
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP disclosed