SCHEMBL7992182

SCHEMBL7992182

CCOC(=O)c1ccc(C#N)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
BAZ2A Q9UIF9 1/20 0.48
TSHR P16473 3/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PDE5A O76074 1/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
ATM Q13315 1/20 0.46
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45

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
SCHEMBL27944765 0.88 CYP4F2 (0.58) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL6883767 0.86 TSHR (0.55) TSHRCA12CA1CA2CA9
SCHEMBL10411226 0.85 CYP4F2 (0.48) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL286232 0.84 CA12 (0.49) TSHRCA12CA1CA2CA9
SCHEMBL4178450 0.83 CA12 (0.47) TSHRCA12CA1CA2CA9
SCHEMBL392298 0.83 FLT1 (0.51) CA12CA1CA2CA9CA7
SCHEMBL22852764 0.82 TSHR (0.46) TSHRCA12CA1CA2CA9
SCHEMBL30294289 0.82 TSHR (0.46) TSHRCA12CA1CA2CA9
SCHEMBL7986113 0.81 PDE5A (0.48) TSHRCA12CA1CA2CA9
SCHEMBL13563786 0.81 KDM4E (0.47) TSHRCA12CA1CA2CA9

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed