SCHEMBL8801153

SCHEMBL8801153

COc1cc(CN2CCc3sccc3C2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.65
CA9 Q16790 4/20 0.62
CA2 P00918 3/20 0.60
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 3/20 0.52
CYP2C19 P33261 2/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
HSP90AB1 P08238 1/20 0.49
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
USP2 O75604 1/20 0.49
ABCB11 O95342 1/20 0.49

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
SCHEMBL11626923 0.90 CA9 (0.62) MAPK1CA9CA2KDM4EALDH1A1
SCHEMBL10620940 0.88 KDM4E (0.57) MAPK1CA9KDM4EALDH1A1MEN1
SCHEMBL10623071 0.84 CYP2C19 (0.54) MAPK1CA9KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL11701330 0.83 CYP2C19 (0.53) MAPK1CA9KDM4EALDH1A1MEN1
SCHEMBL10620292 0.82 MAPK1 (0.62) MAPK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL10623622 0.81 ABCB1 (0.57) MAPK1KDM4EALDH1A1KMT2ACYP2C19
SCHEMBL3051727 0.81 CA9 (0.82) CA9CA2KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL10755161 0.80 CA9 (0.81) CA9CA2KDM4EMEN1KMT2A
SCHEMBL10625297 0.80 ALDH1A1 (0.56) MAPK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL10625318 0.79 CYP2C19 (0.70) MAPK1KDM4EALDH1A1MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4051141-A ANTIINFLAMMATORY, VASODILATOR, ANTICOAGULANTS CENTRE D'ETUDES POUR L'INDUSTRIE PHARMACEUTIQUE (FR) 1977-09-27 US claimed
EP-0522956-B1 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI SA (FR) 1997-02-05 EP disclosed
US-5191090-A Preparation of 2-(2'-thienyl)ethylamine derivatives and synthesis of thieno[3,2-c]pyridine derivatives therefrom SYNTEX (U.S.A.) INC. (US) 1993-03-02 US disclosed
EP-0522956-A2 Preparation of 2-(2-thienyl) ethylamine and synthesis of thieno [3,2-C] pyridine derivatives therefrom SANOFI (FR) 1993-01-13 EP disclosed
US-5068360-A Preparation of 2-(2'-thienyl)ethylamine derivatives and synthesis of thieno(3,2-C)pyridine derivatives therefrom SYNTEX (U.S.A.) INC. (US) 1991-11-26 US disclosed
EP-0439404-A2 Preparation of 2-(2'-thienyl) alkylamines and derivatives thereof and synthesis of 4,5,6,7- thieno [3,2-c] pyridine derivatives therefrom SANOFI (FR) 1991-07-31 EP disclosed
US-4997945-A Ticlopidine intermediate SYNTEX (U.S.A.) INC. (US) 1991-03-05 US disclosed
US-4906756-A 2-(2-nitrovinyl)thiophene reduction and synthesis of thieno[3,2-c]pyridine derivatives SYNTEX (U.S.A.) INC. (US) 1990-03-06 US disclosed
US-4749692-A COMBINATION OF SULFINPYRAZONE AND PYRIDINE DERIVATIVE SANOFI, S.A. (FR) 1988-06-07 US disclosed
US-4537894-A ADMINISTERING SULFINPYRAZONE AND PYRIDINE DERIVATIVE SANOFI, S.A. (FR) 1985-08-27 US disclosed
US-4464377-A SYNERGISTIS BETA-ADRENERGIC BLOCKERS AND TICLOPIDINE SANOFI-SYNTHELABO (FR) 1984-08-07 US disclosed
US-4051141-A ANTIINFLAMMATORY, VASODILATOR, ANTICOAGULANTS CENTRE D'ETUDES POUR L'INDUSTRIE PHARMACEUTIQUE (FR) 1977-09-27 US disclosed