SCHEMBL9451920

SCHEMBL9451920

COc1ccc(-c2nc(C(N)(SC)C(C)=O)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 5/20 0.53
LMNA P02545 3/20 0.53
GAA P10253 2/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
PTGS2 P35354 4/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.43
PPARD Q03181 3/20 0.41

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
SCHEMBL9451919 0.81 MAPT (0.54) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL11562866 0.76 MAPT (0.54) MAPTALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL9451900 0.76 ALDH1A1 (0.55) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL11561735 0.75 MAPT (0.56) MAPTALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL9451995 0.75 ALDH1A1 (0.46) MAPTALDH1A1KDM4ELMNAGAA
Itazigrel SCHEMBL564056 0.74 PTGS2 (0.57) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9451956 0.73 ALDH1A1 (0.50) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9547971 0.72 ALDH1A1 (0.61) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9451895 0.71 KDM4E (0.49) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9451977 0.71 ALDH1A1 (0.44) MAPTALDH1A1KDM4ELMNAGAA

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-5229386-A Anticoagulants, hypotensive agents, antiallergens, antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-20 US disclosed
US-5145860-A Anticoagulants, vasodilators, antiinflammatory, antiallergens, enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-09-08 US disclosed