SCHEMBL365022

SCHEMBL365022

NC(=O)c1c2c(O)cc(C(=O)O)cc2n2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
DHODH Q02127 2/20 0.38
BAZ2B Q9UIF8 2/20 0.38
BAZ2A Q9UIF9 2/20 0.38
IDO1 P14902 1/20 0.37
PLA2G10 O15496 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CA3 P07451 1/20 0.35
MAPT P10636 1/20 0.35
SELL P14151 1/20 0.35
HPGD P15428 1/20 0.35
SELP P16109 1/20 0.35

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
SCHEMBL367221 0.92 BAZ2B (0.42) PTGS2FNTAFNTBBAZ2BBAZ2A
SCHEMBL366820 0.90 IDO1 (0.43) PTGS2FNTAFNTBBAZ2BBAZ2A
SCHEMBL367255 0.89 PTGS2 (0.42) PTGS2FNTAFNTBDHODHBAZ2B
SCHEMBL365770 0.88 BAZ2B (0.45) BAZ2BBAZ2AKDM4EALDH1A1TP53
SCHEMBL364537 0.85 BAZ2B (0.38) BAZ2BBAZ2AKDM4EALDH1A1MAPT
SCHEMBL365272 0.82 CA12 (0.42) PTGS2FNTAFNTBBAZ2BBAZ2A
SCHEMBL365788 0.81 BAZ2B (0.45) PTGS2FNTAFNTBBAZ2BBAZ2A
SCHEMBL365406 0.78 STS (0.39) KDM4ECA12ALDH1A1CA1CA2
SCHEMBL366789 0.78 IDO1 (0.38) PTGS2FNTAFNTBBAZ2BBAZ2A
SCHEMBL365258 0.78 KDM4E (0.42) PTGS2FNTAFNTBBAZ2BBAZ2A

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed