SCHEMBL6977307

SCHEMBL6977307

CSc1ccc(-c2oc3ccccc3c(=O)c2Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 6/20 0.55
MAPT P10636 4/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GLA P06280 2/20 0.55
RAB9A P51151 2/20 0.55
GAA P10253 1/20 0.55
TP53 P04637 3/20 0.49
LMNA P02545 2/20 0.49
RET P07949 2/20 0.49
ALOX12 P18054 2/20 0.49
TSHR P16473 1/20 0.49
KDR P35968 1/20 0.49
HTT P42858 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.48
CYP3A4 P08684 5/20 0.48
HSD17B10 Q99714 4/20 0.48
MEN1 O00255 3/20 0.48
ALOX15 P16050 3/20 0.48

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
SCHEMBL7685589 0.84 MAPK14 (0.53) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL1534666 0.83 KMT2A (0.65) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL29501080 0.83 KMT2A (0.65) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6982123 0.83 KDM4E (0.55) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL7694389 0.81 RXFP1 (0.46) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6982270 0.79 PTGS2 (0.59) KDM4EALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL6979534 0.79 RET (0.58) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6983901 0.78 ALDH1A1 (0.52) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6978811 0.76 PTGS1 (0.59) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6978675 0.76 MAPK14 (0.56) KDM4EALDH1A1MAPTHPGDSMN1; SMN2

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
EP-1105384-B1 DIARYLBENZOPYRAN DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-03-26 EP disclosed
US-6340694-B1 Diarylbenzopyran derivatives as cyclooxygenase-2 inhibitors PACIFIC CORPORATION (KR) 2002-01-22 US disclosed