SCHEMBL6689709

SCHEMBL6689709

COc1ccc(-n2nc(C(F)(F)F)nc2-c2ccc(OCc3ccccc3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.46
PTGS2 P35354 5/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PABPC1 P11940 1/20 0.44
GRM5 P41594 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
OXTR P30559 2/20 0.39
AVPR1A P37288 2/20 0.39
AVPR2 P30518 1/20 0.39

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
SCHEMBL6683341 0.89 PTGS1 (0.58) PTGS1PTGS2KDM4EALDH1A1GAA
SCHEMBL6691220 0.89 PTGS1 (0.63) PTGS1PTGS2MEN1KMT2APABPC1
SCHEMBL6132606 0.86 PTGS2 (0.57) PTGS1PTGS2MEN1KMT2AHPGD
SCHEMBL6687139 0.86 MEN1 (0.48) PTGS1PTGS2MEN1KMT2APABPC1
SCHEMBL6684307 0.84 PTGS2 (0.47) PTGS1PTGS2MEN1KMT2AL3MBTL1
SCHEMBL6680327 0.83 PTGS1 (0.45) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL6682903 0.83 PTGS1 (0.47) PTGS1PTGS2OXTRAVPR1AAVPR2
SCHEMBL6684498 0.80 KMT2A (0.48) MEN1KMT2APABPC1ALDH1A1HPGD
SCHEMBL6682879 0.80 PTGS1 (0.43) PTGS1PTGS2MEN1KMT2APABPC1
SCHEMBL6684522 0.80 MEN1 (0.48) PTGS2MEN1KMT2APABPC1KDM4E

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-2004060367-A1 IMIDAZOLE AND TRIAZOLE DERIVATIVES USEFUL AS SELECTIVE COX-1 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-22 WO disclosed