SCHEMBL8694845

SCHEMBL8694845

COC(=O)c1c(Cc2ccc(Br)cc2)nn(CC(F)(F)F)c1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.36
FPR2 P25090 2/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 2/20 0.34
PLA2G2A P14555 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HRH1 P35367 1/20 0.33

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
SCHEMBL8694583 0.86 LMNA (0.39) FPR1FPR2ALDH1A1L3MBTL1KMT2A
SCHEMBL8693539 0.84 FPR1 (0.37) FPR1FPR2ALDH1A1L3MBTL1KMT2A
SCHEMBL8690998 0.82 CNR2 (0.38) FPR1FPR2ALDH1A1L3MBTL1KMT2A
SCHEMBL8693681 0.82 FPR1 (0.40) FPR1FPR2ALDH1A1L3MBTL1KMT2A
SCHEMBL8691445 0.81 CYP2C19 (0.48) FPR1FPR2ALDH1A1L3MBTL1KMT2A
SCHEMBL9034552 0.76 HPGD (0.48) ALDH1A1KMT2AHPGDSMN1; SMN2NPSR1
SCHEMBL8692841 0.74 HRH1 (0.36) FPR1FPR2HSP90AA1HSP90B1SMN1; SMN2
SCHEMBL12499839 0.73 LMNA (0.43) ALDH1A1KMT2AHSP90AA1GAAMAPT
SCHEMBL12499851 0.72 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMT2AHPGDSMN1; SMN2
SCHEMBL8693926 0.72 HRH1 (0.35) HRH1

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
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed