SCHEMBL7685589

SCHEMBL7685589

CSc1ccc(-c2oc3ccccc3c(=O)c2-c2ccc(Br)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.53
PLA2G2A P14555 1/20 0.52
PLA2G4A P47712 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
RET P07949 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
KDR P35968 1/20 0.45
HTT P42858 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 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
SCHEMBL6979534 0.87 RET (0.58) MAPK14PLA2G2APLA2G4ASMN1; SMN2ALDH1A1
SCHEMBL6978757 0.84 PTGS2 (0.65) MAPK14PLA2G2APLA2G4ASMN1; SMN2ALDH1A1
SCHEMBL6978675 0.84 MAPK14 (0.56) MAPK14PLA2G2APLA2G4ASMN1; SMN2ALDH1A1
SCHEMBL6977307 0.84 KDM4E (0.55) MAPK14PLA2G2APLA2G4ASMN1; SMN2ALDH1A1
SCHEMBL6983901 0.84 ALDH1A1 (0.52) MAPK14PLA2G2APLA2G4ASMN1; SMN2ALDH1A1
SCHEMBL6978284 0.83 PTGS2 (0.63) MAPK14PLA2G2APLA2G4ASMN1; SMN2ALDH1A1
SCHEMBL6970224 0.81 PTGS2 (0.67) MAPK14PLA2G2APLA2G4AMEN1KMT2A
SCHEMBL7876427 0.79 KDM4E (0.51) MAPK14PLA2G2APLA2G4ASMN1; SMN2ALDH1A1
SCHEMBL6982123 0.79 KDM4E (0.55) MAPK14PLA2G2APLA2G4ASMN1; SMN2ALDH1A1
SCHEMBL7703075 0.77 PLA2G2A (0.73) MAPK14PLA2G2APLA2G4ASMN1; SMN2ALDH1A1

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
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US disclosed