SCHEMBL5712282

SCHEMBL5712282

NCCNC(N)N(CCN)CCN

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
CA12 O43570 1/20 0.30
CA6 P23280 1/20 0.30
CA7 P43166 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL3726840 0.76 TDP1 (0.35) CYP2C9CYP2C19MEN1CA12CA6
SCHEMBL19555648 0.67
SCHEMBL28198406 0.66
SCHEMBL4111284 0.64 CYP2C19 (0.50) CYP2C9CYP2C19MEN1CA12CA6
SCHEMBL9064141 0.64 CYP2C19 (0.50) CYP2C9CYP2C19MEN1CA12CA6
SCHEMBL28158488 0.63
SCHEMBL28266 0.62 CA12 (0.44) CYP2C9CYP2C19MEN1CA12CA6
SCHEMBL24400179 0.61
SCHEMBL1484286 0.61
SCHEMBL658748 0.61

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-20060205913-A1 Polyurethane compositiones for golf balls ACUSHNET COMPANY 2006-09-14 US disclosed