SCHEMBL2494830

SCHEMBL2494830

O=C(O)CSC1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
CYP2D6 P10635 3/20 0.64
CYP3A4 P08684 2/20 0.64
CYP1A2 P05177 2/20 0.59
MAPT P10636 11/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GLA P06280 1/20 0.55
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 3/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.44
GFER P55789 1/20 0.41
HIF1A Q16665 1/20 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
SCHEMBL11884885 0.79 CYP3A4 (1.00) ALDH1A1CYP2D6CYP3A4CYP1A2MAPT
SCHEMBL24133880 0.75 ALDH1A1 (0.59) ALDH1A1CYP2D6CYP3A4CYP1A2MAPT
SCHEMBL25366887 0.75 CYP3A4 (0.78) ALDH1A1CYP2D6CYP3A4CYP1A2MAPT
SCHEMBL24133866 0.75 MAPT (0.86) ALDH1A1CYP2D6CYP3A4CYP1A2MAPT
SCHEMBL24133865 0.73 ALDH1A1 (0.92) ALDH1A1CYP2D6CYP3A4CYP1A2MAPT
SCHEMBL24133862 0.73 ALDH1A1 (0.97) ALDH1A1CYP2D6CYP3A4CYP1A2MAPT
SCHEMBL24549741 0.73 ALDH1A1 (0.56) ALDH1A1CYP2D6CYP3A4CYP1A2MAPT
SCHEMBL24133813 0.72 MAPT (1.00) ALDH1A1CYP2D6CYP3A4CYP1A2MAPT
SCHEMBL11584636 0.72
SCHEMBL24133859 0.72 ALDH1A1 (1.00) ALDH1A1CYP2D6CYP3A4CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108840826-B Methanol gasoline corrosion-resistant swelling-inhibiting water-resistant additive and preparation method thereof 谢爱丽 2021-11-23 CN claimed
CN-108840826-A A kind of methanol gasoline is anti-corrosion to press down the water resistant additive and preparation method thereof that rises 谢爱丽 2018-11-20 CN claimed
CN-108840826-B Methanol gasoline corrosion-resistant swelling-inhibiting water-resistant additive and preparation method thereof 谢爱丽 2021-11-23 CN disclosed
CN-108795513-B Corrosion-resistant expansion-inhibiting water-resistant methanol gasoline 谢爱丽 2020-09-25 CN disclosed
CN-108840826-A A kind of methanol gasoline is anti-corrosion to press down the water resistant additive and preparation method thereof that rises 谢爱丽 2018-11-20 CN disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-6395225-B1 ALKYL-(POLYETHYLENIMINE)-IMIDAZOLINE AND ORGANIC MERCAPTO ACID ELF ATOCHEM S.A. (FR) 2002-05-28 US disclosed