SCHEMBL19781883

SCHEMBL19781883

CC(C)CN(CCN)CCNCCN(CCNCCN)CCN(CCN)CCN(CCN)CCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 3/20 0.38
CA12 O43570 3/20 0.37
CA6 P23280 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA5B Q9Y2D0 3/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
CA1 P00915 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL21483630 1.00 CYP2C9 (0.50) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL25098003 0.98 CYP2C9 (0.48) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL22225399 0.93 CYP2C9 (0.44) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL23564412 0.92 CYP2C9 (0.43) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL20800130 0.88 CYP2C9 (0.40) CYP2C9CYP2C19TDP1
SCHEMBL22219748 0.87 CYP2C9 (0.35) CYP2C9CYP2C19
SCHEMBL10379393 0.86 CYP2C19 (0.56) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL22732400 0.84 CYP2C19 (0.54) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL22732658 0.84 CYP2C19 (0.54) CYP2C9CYP2C19TDP1CA12CA6
SCHEMBL23489825 0.84 CYP2C19 (0.54) CYP2C9CYP2C19TDP1CA12CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834546-B2 Polyurethane-based composition BOSTIK SA (FR) 2023-12-05 US disclosed
EP-3713983-B1 POLYURETHANE-BASED COMPOSITION BOSTIK SA (FR) 2021-05-19 EP disclosed
EP-3484973-B1 ADHESIVE DUAL-COMPONENT COMPOSITION BASED ON POLYURETHANE BOSTIK SA (FR) 2020-12-23 EP disclosed
US-20200385509-A1 POLYURETHANE-BASED COMPOSITION BOSTIK SA (FR) 2020-12-10 US disclosed
WO-2019102142-A1 POLYURETHANE-BASED COMPOSITION BOSTIK SA (FR) 2019-05-31 WO disclosed
WO-2018011504-A1 ADHESIVE DUAL-COMPONENT COMPOSITION BASED ON POLYURETHANE BOSTIK SA (FR) 2018-01-18 WO disclosed