SCHEMBL6683423

SCHEMBL6683423

COc1ccccc1C(=O)NC(c1ccccc1)c1c[nH]nc1-c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ESR1 P03372 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
KLKB1 P03952 1/20 0.43
TACR3 P29371 1/20 0.41
POLB P06746 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KCNA3 P22001 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL6677935 0.88 KCNK3 (0.40) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6698055 0.86 ALDH1A1 (0.42) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6689149 0.83 GPR139 (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6678578 0.82 MAPT (0.42) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6691606 0.79 HSD17B2 (0.41) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6689991 0.76 MAPT (0.41) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL22340596 0.75 ALDH1A1 (0.75) KMT2AHPGDALDH1A1SMN1; SMN2GAA
SCHEMBL6679654 0.74 TRPM8 (0.45) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL4916663 0.70 FGFR2 (0.37) MAPTMEN1KMT2AHPGDALDH1A1
SCHEMBL6677495 0.69 SMN1; SMN2 (0.48) MAPTMEN1KMT2AHPGDALDH1A1

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 disclosed