SCHEMBL3357025

SCHEMBL3357025

C=Cc1ccc(CCN(Cc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 3/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
GLA P06280 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 2/20 0.39
KCNH2 Q12809 3/20 0.38
TAAR1 Q96RJ0 2/20 0.38
KMT2A Q03164 3/20 0.37
MITF O75030 1/20 0.37

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
SCHEMBL27802833 0.92 ALDH1A1 (0.43) TSHRALDH1A1KCNH2TAAR1HTR1A
SCHEMBL19066615 0.87 TSHR (0.50) TSHRCYP2C19CYP2D6ALDH1A1LMNA
SCHEMBL11798046 0.85 TSHR (0.61) TSHRCYP2C19CYP2D6LMNAGLA
SCHEMBL27802842 0.84 ALDH1A1 (0.39) TSHRALDH1A1SMN1; SMN2KCNH2TAAR1
SCHEMBL9718472 0.83 CYP2C19 (0.58) TSHRCYP2C19CYP2D6ALDH1A1LMNA
SCHEMBL3356121 0.82 OPRK1 (0.53) TSHRALDH1A1TAAR1OPRM1L3MBTL1
SCHEMBL3356598 0.82 OPRK1 (0.49) TSHRALDH1A1HTTTAAR1OPRM1
SCHEMBL3359186 0.82 KCNH2 (0.47) TSHRALDH1A1KCNH2TAAR1HTR1A
SCHEMBL4757242 0.80 TSHR (0.52) TSHRCYP2C19CYP2D6LMNAGLA
SCHEMBL19066618 0.80 TSHR (0.45) TSHRCYP2C19CYP2D6ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177562-B1 Polymer, rubber composition and tire using the same SUMITOMO RUBBER IND (JP) 2014-05-14 EP disclosed
EP-2184318-B1 Rubber composition and tire SUMITOMO RUBBER IND (JP) 2014-03-19 EP disclosed
US-8431644-B2 Rubber composition and tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2013-04-30 US disclosed
EP-2182028-B1 Rubber composition and tire SUMITOMO RUBBER IND (JP) 2012-12-12 EP disclosed
EP-2184318-A2 Rubber composition and tire Sumitomo Rubber Industries, Ltd. (JP) 2010-05-12 EP disclosed
EP-2182028-A1 Rubber composition and tire Sumitomo Rubber Industries, Ltd. (JP) 2010-05-05 EP disclosed
US-20100105826-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-29 US disclosed
US-20100099810-A1 POLYMER, RUBBER COMPOSITION AND TIRE USING THE SAME SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
US-20100099795-A1 RUBBER COMPOSITION AND TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2010-04-22 US disclosed
EP-2177562-A2 Polymer, rubber composition and tire using the same Sumitomo Rubber Industries, Ltd. (JP) 2010-04-21 EP disclosed