SCHEMBL11527367

SCHEMBL11527367

CN/C(=N/CCCS)NC#N

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.35
QPCT Q16769 9/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NAMPT P43490 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL11527369 1.00 HRH4 (0.35) HRH4QPCTCYP3A4CYP2D6CYP2C9
SCHEMBL9809757 0.89 BCHE (0.32) HRH4BCHEACHE
SCHEMBL9809754 0.89 BCHE (0.32) HRH4BCHEACHE
SCHEMBL11215888 0.89 BCHE (0.32) HRH4BCHEACHE
SCHEMBL11467208 0.81 MIF (0.39) HRH4QPCTCYP3A4CYP2D6CYP2C9
SCHEMBL10567477 0.80 CYP1A2 (0.41) HRH4CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11158901 0.79 DHPS (0.42) HRH4CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11158899 0.79 DHPS (0.42) HRH4CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9777091 0.79 HRH4 (0.32) HRH4
SCHEMBL9777093 0.79 HRH4 (0.32) HRH4

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-4171325-A Chemical process SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-16 US disclosed