SCHEMBL9950264

SCHEMBL9950264

CC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1.Nc1ccc(N)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.84
HSD17B10 Q99714 6/20 0.84
ALOX15 P16050 5/20 0.84
ALOX12 P18054 4/20 0.84
CYP3A4 P08684 4/20 0.84
TSHR P16473 4/20 0.84
MAPK1 P28482 3/20 0.84
HIF1A Q16665 2/20 0.84
MAPT P10636 6/20 0.58
L3MBTL1 Q9Y468 5/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 5/20 0.53
LMNA P02545 3/20 0.53
THRB P10828 2/20 0.53
RECQL P46063 1/20 0.53
ATM Q13315 1/20 0.53
HPGD P15428 3/20 0.43

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
SCHEMBL31215174 0.92 ALDH1A1 (1.00) ALDH1A1HSD17B10ALOX15ALOX12CYP3A4
SCHEMBL39447 0.92 ALDH1A1 (1.00) ALDH1A1HSD17B10ALOX15ALOX12CYP3A4
SCHEMBL15476044 0.92 ALDH1A1 (1.00) ALDH1A1HSD17B10ALOX15ALOX12CYP3A4
SCHEMBL9950267 0.90 ALDH1A1 (0.84) ALDH1A1HSD17B10ALOX15ALOX12CYP3A4
SCHEMBL1417898 0.88 ALDH1A1 (0.61) ALDH1A1HSD17B10ALOX15ALOX12CYP3A4
SCHEMBL6328763 0.87 ALDH1A1 (0.90) ALDH1A1HSD17B10ALOX15ALOX12CYP3A4
SCHEMBL29251251 0.87 ALDH1A1 (0.90) ALDH1A1HSD17B10ALOX15ALOX12CYP3A4
SCHEMBL20996740 0.85 ALDH1A1 (0.87) ALDH1A1HSD17B10ALOX15ALOX12CYP3A4
SCHEMBL18973334 0.84 ALDH1A1 (0.85) ALDH1A1HSD17B10ALOX15ALOX12CYP3A4
SCHEMBL9933293 0.84 ALDH1A1 (0.85) ALDH1A1HSD17B10ALOX15ALOX12CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9566828-B2 Composition based on natural rubber and a polyimine compound MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2017-02-14 US disclosed
EP-2451656-B1 composition based on natural rubber and a polyimine compound MICHELIN & CIE (FR) 2015-11-25 EP disclosed
US-20120165449-A1 COMPOSITION BASED ON NATURAL RUBBER AND A POLYIMINE COMPOUND MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2012-06-28 US disclosed