SCHEMBL8637993

SCHEMBL8637993

CSc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(CCO)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
SLC6A4 P31645 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 1/20 0.32
HTT P42858 1/20 0.32
GCGR P47871 3/20 0.31
MAPK14 Q16539 3/20 0.31
MAPK13 O15264 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
LCK P06239 1/20 0.31
RET P07949 1/20 0.31
ALOX5 P09917 1/20 0.31
PRKACA P17612 1/20 0.31

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
SCHEMBL8637766 0.83 SLC6A4 (0.36) POLBMAPTMMP12MMP13SLC6A4
SCHEMBL8640384 0.82 PTGS2 (0.45) PTGS2CA12CA1CA2CA4
SCHEMBL8642544 0.81
SCHEMBL8645110 0.79 MMP12 (0.36) POLBMAPTMMP12MMP13SLC6A4
SCHEMBL8925681 0.76 GSK3B (0.44) MAPTKMT2AMAPK14MAPK13ALOX5
SCHEMBL8195709 0.74 GSK3B (0.41) MAPK14MAPK13PRKD3MAP4K4RET
SCHEMBL8953683 0.74 ENPP1 (0.41) MAPTKMT2AHTTGCGRMAPK14
SCHEMBL8758330 0.72 MAPK14 (0.41) MAPTSLC5A1SLC5A2CNR2GCGR
SCHEMBL8925320 0.72 PTGS2 (0.47) PTGS2
SCHEMBL8925463 0.72 MAP2K4 (0.43) MAPTKMT2AHTTALOX5PTGS2

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-0856000-A1 1,3,5-TRISUBSTITUTED PYRAZOLES FOR TREAMENT OF INFLAMMATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-05 EP disclosed
WO-1997013755-A1 1,3,5-TRISUBSTITUTED PYRAZOLES FOR TREAMENT OF INFLAMMATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-17 WO disclosed