SCHEMBL20052940

SCHEMBL20052940

C=C(NCCCNC(=S)NCCC)NCCCNC(=S)NCCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.45
HRH4 Q9H3N8 1/20 0.42
HRH2 P25021 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PAOX Q6QHF9 1/20 0.38
EPHX2 P34913 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL16372492 0.91 QPCT (0.50) QPCTHRH4HRH2KMT2AALDH1A1
SCHEMBL12913680 0.84 PAOX (0.48) QPCTHRH4HRH2KMT2AALDH1A1
SCHEMBL25118497 0.83 EPHX1 (0.48) KMT2AMEN1EPHX1PAOX
SCHEMBL14860830 0.83 KMT2A (0.53) QPCTHRH4HRH2KMT2AALDH1A1
SCHEMBL28295549 0.83 MMP1 (0.40) KMT2AALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL1276262 0.83 ALDH1A1 (0.56) QPCTHRH4HRH2KMT2AALDH1A1
SCHEMBL12914916 0.82 PAOX (0.52) QPCTHRH4HRH2KMT2AALDH1A1
SCHEMBL11593207 0.79 EPHX1 (0.61) QPCTHRH4HRH2KMT2AMEN1
SCHEMBL11595839 0.79 EPHX1 (0.61) QPCTHRH4HRH2KMT2AMEN1
SCHEMBL11595115 0.79 EPHX1 (0.61) QPCTHRH4HRH2KMT2AMEN1

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
US-9944770-B2 Moisture curable compound with thiourea MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2018-04-17 US disclosed