SCHEMBL6677495

SCHEMBL6677495

COc1ccc(C(=O)NC(Cc2ccccc2)c2c[nH]nc2-c2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGDS O60760 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
F2 P00734 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ADCY1 Q08828 1/20 0.45
GAA P10253 1/20 0.45
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC4 P56524 2/20 0.42

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
SCHEMBL6689991 0.74 MAPT (0.41) SMN1; SMN2KDM4EHPGDSMAPTMEN1
SCHEMBL6678578 0.73 MAPT (0.42) SMN1; SMN2KDM4EHPGDSMAPTMEN1
SCHEMBL6691606 0.71 HSD17B2 (0.41) SMN1; SMN2HPGDSMAPTMEN1KMT2A
SCHEMBL3719424 0.70 CA2 (0.72) KMT2AALDH1A1RAB9AGAAFPR2
SCHEMBL3719426 0.70 CA2 (0.72) KMT2AALDH1A1RAB9AGAAFPR2
SCHEMBL25496384 0.69 RAB9A (0.79) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL28482777 0.69 RAB9A (0.79) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL22897202 0.69 CAPN1 (0.51) HPGDS
SCHEMBL6683070 0.68 KMT2A (0.54) SMN1; SMN2KDM4EHPGDSMAPTMEN1
SCHEMBL8912912 0.68 ALDH1A1 (0.42) SMN1; SMN2KDM4EHPGDSMAPTMEN1

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-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO claimed