SCHEMBL7288015

SCHEMBL7288015

Cc1ccc(C)n1CCCS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.46
MAPT P10636 5/20 0.38
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.31
NR4A1 P22736 1/20 0.31
APEX1 P27695 1/20 0.31
APOBEC3A P31941 1/20 0.31
RECQL P46063 1/20 0.31
HIF1A Q16665 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7279320 0.84 PRKCI (0.39) PRKCIMAPTALDH1A1KDM4EALOX15
SCHEMBL9772348 0.78 PRKCI (0.45) PRKCIMAPTALDH1A1KDM4EALOX15
SCHEMBL3141353 0.75 TLR8 (0.46) PRKCIMAPTALDH1A1KDM4EMEN1
SCHEMBL8331398 0.75 PRKCI (0.46) PRKCIMAPTALDH1A1KDM4EALOX15
SCHEMBL20348785 0.75 PRKCI (0.46) PRKCIMAPTALDH1A1KDM4EAPEX1
SCHEMBL14958647 0.73 TLR8 (0.45) PRKCIMAPTALDH1A1KDM4EALOX15
SCHEMBL9659665 0.71 PRKCI (0.43) PRKCITDP1
SCHEMBL11489950 0.70 ALDH1A1 (0.43) PRKCIMAPTALDH1A1KDM4EALOX15
SCHEMBL9877153 0.69 PRKCI (0.39) PRKCIMAPTALDH1A1KDM4EALOX15
SCHEMBL11489947 0.69 PRKCI (0.39) PRKCIMAPTALDH1A1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021436-A Antiulcer, anticoagulant, antiischaemic agent BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1991-06-04 US disclosed
US-4999362-A Hypotensive, Antiulcer, Cytoprotective, Antithrombotic Agents BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-03-12 US disclosed
US-4918087-A 2-thiomethyl-substituted-pyridine and -3,5-dicarboxylates having anti-hypertensive activity BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1990-04-17 US disclosed
EP-0282904-A2 2-Thiomethyl-substituted-pyridines, a method for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1988-09-21 EP disclosed
EP-0233228-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1987-08-26 EP disclosed
WO-1987000836-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1987-02-12 WO disclosed