SCHEMBL19786259

SCHEMBL19786259

c1cn(CCCNCCCn2ccnc2)cn1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.68
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
QPCT Q16769 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
SOD1 P00441 2/20 0.54
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALOX15 P16050 1/20 0.50
PRKCI P41743 1/20 0.50

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
SCHEMBL28286843 0.91 TBXAS1 (0.68) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13256613 0.91 QPCT (0.65) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16299531 0.89 TBXAS1 (0.71) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL9021019 0.89 QPCT (0.63) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8365568 0.88 TBXAS1 (0.59) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23746470 0.88 TBXAS1 (0.74) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28720416 0.88 TBXAS1 (0.74) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17784359 0.88 TBXAS1 (0.58) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28712305 0.88 TBXAS1 (0.74) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9659699 0.86 TBXAS1 (0.52) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9

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
EP-3481878-B1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2024-05-22 EP claimed
CN-109476803-A It can be used for manufacturing the amine composition of polyurethane foam 赢创德固赛有限公司 2019-03-15 CN claimed
CN-109476803-B Amine compositions useful for making polyurethane foams 赢创运营有限公司 2022-04-12 CN disclosed
US-11021561-B2 Amine composition useful for making polyurethane foam EVONIK OPERATIONS GMBH (DE) 2021-06-01 US disclosed
CN-109476803-A It can be used for manufacturing the amine composition of polyurethane foam 赢创德固赛有限公司 2019-03-15 CN disclosed
WO-2018013590-A1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK DEGUSSA GMBH (DE) 2018-01-18 WO disclosed