SCHEMBL16612359

SCHEMBL16612359

C=C(c1ccccc1)c1cccc([N+]2(C)CCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
RGS12 O14924 1/20 0.31
CYP3A4 P08684 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31

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
SCHEMBL16612276 0.98 KMT2A (0.38) KMT2AMEN1ALDH1A1HPGDCHRM2
SCHEMBL16612635 0.98 KMT2A (0.38) KMT2AMEN1ALDH1A1HPGDCHRM2
SCHEMBL16612447 0.83 KMT2A (0.44) KMT2AMEN1ALDH1A1HPGDCHRM2
SCHEMBL16612732 0.83 KMT2A (0.44) KMT2AMEN1ALDH1A1HPGDCHRM2
SCHEMBL5281905 0.74 APOBEC3A (0.37) KMT2AMEN1ALDH1A1HPGDCHRM2
SCHEMBL5944513 0.72 APOBEC3A (0.40) KMT2AMEN1ALDH1A1HPGDCHRM2
SCHEMBL814654 0.72 MEN1 (0.52) KMT2AMEN1ALDH1A1CHEK1KDR
SCHEMBL21811989 0.70 MEN1 (0.50) KMT2AMEN1ALDH1A1CHEK1KDR
SCHEMBL9064783 0.68 ACHE (0.42) ALDH1A1HPGD
SCHEMBL12802229 0.67 SMN1; SMN2 (0.53) KMT2AMEN1HPGDKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed