SCHEMBL7305010

SCHEMBL7305010

Cc1ccc(CNO)c(C)c1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
IDO1 P14902 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.31
NR2F2 P24468 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPA1 O75762 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL18716747 0.79 SLC6A4 (0.40) MAPTHSD17B10ALDH1A1NR2F2L3MBTL1
SCHEMBL7034976 0.77 HPGD (0.43) GAAALDH1A1
SCHEMBL358606 0.73 PDCD1 (0.43) HSD17B10ALDH1A1TRPA1ATM
SCHEMBL7533571 0.72 HPGD (0.40) GAAALDH1A1
SCHEMBL9839922 0.72 TAAR1 (0.34) TRPA1ATM
Phosphine SCHEMBL3840466 0.71 PDCD1 (0.42) TRPA1ATM
Ammonia Solution, Strong SCHEMBL439692 0.71 PDCD1 (0.42) ALDH1A1TRPA1ATM
SCHEMBL11227494 0.71 CHRM2 (0.42) TP53HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL22557689 0.71
SCHEMBL8436160 0.70 CYP1A2 (0.32)

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-0421366-B1 Radiolabeled anticoagulant peptides MERRELL DOW PHARMA (US) 1995-07-19 EP disclosed
US-5279812-A Polypeptide; amino acid sequence of hirudin MERRELL DOW PHARMACEUTICALS INC. (US) 1994-01-18 US disclosed