SCHEMBL6665674

SCHEMBL6665674

COc1cc(C(N)=O)ccn1.O=C(O)c1ccc2c(c1)C(=O)CC(=O)N2Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
PRKAG1 P54619 3/20 0.38
PRKAA2 P54646 3/20 0.38
PRKAB1 Q9Y478 3/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CTRB1 P17538 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 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
SCHEMBL6665535 0.92 KDM5A (0.41) OPRK1KCNH2PTGDR2PRKAG1PRKAA2
SCHEMBL6668468 0.90 KDM5A (0.41) OPRK1KCNH2PTGDR2PRKAG1PRKAA2
SCHEMBL6664538 0.89 NNMT (0.45) P2RX3OPRK1KCNH2PTGDR2PRKAG1
SCHEMBL6666674 0.88 KDM4C (0.42) OPRK1KCNH2KDM5AKDM4CKDM5B
SCHEMBL6670369 0.86 PRKAG1 (0.43) PTGDR2PRKAG1PRKAA2PRKAB1MAPT
SCHEMBL6668051 0.82 PTGDR2 (0.43) OPRK1KCNH2PTGDR2PRKAG1PRKAA2
SCHEMBL6669305 0.81 PRKAG1 (0.41) P2RX3OPRK1KCNH2PTGDR2PRKAG1
SCHEMBL6665427 0.80 NNMT (0.43) OPRK1KCNH2PTGDR2PRKAG1PRKAA2
SCHEMBL6668559 0.80 NNMT (0.41) OPRK1KCNH2PTGDR2PRKAG1PRKAA2
SCHEMBL6664683 0.78 KMT2A (0.43) PRKAG1PRKAA2PRKAB1MAPTCTRB1

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-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed