SCHEMBL16612447

SCHEMBL16612447

C=C(c1ccccc1)c1ccc([N+]2(C)CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
PABPC1 P11940 2/20 0.35
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
EIF4H Q15056 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL16612732 1.00 KMT2A (0.44) KMT2AMEN1HPGDALDH1A1CHRM2
SCHEMBL16612635 0.85 KMT2A (0.38) KMT2AMEN1HPGDALDH1A1CHRM2
SCHEMBL16612276 0.85 KMT2A (0.38) KMT2AMEN1HPGDALDH1A1CHRM2
SCHEMBL16612359 0.83 KMT2A (0.39) KMT2AMEN1HPGDALDH1A1CHRM2
SCHEMBL16612765 0.80
SCHEMBL5944513 0.79 APOBEC3A (0.40) KMT2AMEN1HPGDALDH1A1CHRM2
SCHEMBL5281905 0.77 APOBEC3A (0.37) KMT2AMEN1HPGDALDH1A1CHRM2
SCHEMBL894135 0.72 MEN1 (0.65) KMT2AMEN1ALDH1A1LMNAMAPT
Ethane SCHEMBL27455181 0.70 MEN1 (0.62) KMT2AMEN1ALDH1A1LMNAMAPT
Benzene SCHEMBL28340939 0.69 MEN1 (0.61) KMT2AMEN1HPGDALDH1A1LMNA

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-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
CN-104334629-B Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2016-08-24 CN 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
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 CN disclosed