SCHEMBL6282271

SCHEMBL6282271

O=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)SC(=S)N1CCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 9/20 0.77
EP300 Q09472 1/20 0.66
CREBBP Q92793 1/20 0.66
ENPP2 Q13822 1/20 0.64
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 3/20 0.63
MAPT P10636 3/20 0.63
USP2 O75604 1/20 0.59
DNMT1 P26358 1/20 0.59
BLM P54132 1/20 0.59
SYK P43405 1/20 0.59
RECQL P46063 2/20 0.57
MCL1 Q07820 2/20 0.57
EIF4E P06730 1/20 0.57
EIF4G1 Q04637 1/20 0.57
POLB P06746 1/20 0.57
THRB P10828 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL3905845 1.00 MAP3K5 (0.77) MAP3K5EP300CREBBPENPP2MEN1
SCHEMBL3905850 1.00 MAP3K5 (0.77) MAP3K5EP300CREBBPENPP2MEN1
SCHEMBL3897828 0.91 MAP3K5 (0.78) MAP3K5ENPP2MEN1KMT2AALDH1A1
SCHEMBL3897831 0.91 MAP3K5 (0.78) MAP3K5ENPP2MEN1KMT2AALDH1A1
SCHEMBL3963776 0.91 MAP3K5 (0.64) MAP3K5EP300CREBBPENPP2MEN1
SCHEMBL3963779 0.91 MAP3K5 (0.64) MAP3K5EP300CREBBPENPP2MEN1
SCHEMBL13762522 0.90 MAP3K5 (0.62) MAP3K5EP300CREBBPENPP2MEN1
SCHEMBL3900350 0.89 MAP3K5 (0.78) MAP3K5ENPP2MEN1KMT2AALDH1A1
SCHEMBL3900346 0.89 MAP3K5 (0.78) MAP3K5ENPP2MEN1KMT2AALDH1A1
SCHEMBL3903171 0.87 MAP3K5 (0.70) MAP3K5EP300CREBBPENPP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 WO claimed