SCHEMBL9212931

SCHEMBL9212931

CN(Cc1cc(CN(C)c2ccccc2)c(CN(C)c2ccccc2)cc1CN(C)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL11003393 0.81 PYCR1 (0.51) ALDH1A1KDM4ELMNANPSR1MEN1
SCHEMBL25117725 0.80 CRHBP (0.46) HSD17B3TAAR1CRHBPCRHR2ALDH1A1
SCHEMBL13144460 0.80 TAAR1 (0.43) HSD17B3TAAR1CRHBPCRHR2ALDH1A1
SCHEMBL16311174 0.80 TAAR1 (0.44) HSD17B3TAAR1CRHBPCRHR2ALDH1A1
SCHEMBL29150566 0.79 HSD17B3 (0.47) HSD17B3TAAR1CRHBPCRHR2ALDH1A1
SCHEMBL28498759 0.79 HDAC3 (0.46) HSD17B3TAAR1CRHBPCRHR2ALDH1A1
SCHEMBL13360178 0.79 HSD17B3 (0.43) HSD17B3TAAR1CRHBPCRHR2ALDH1A1
SCHEMBL9226605 0.79 PYCR1 (0.51) HSD17B3TAAR1CRHBPCRHR2LMNA
SCHEMBL642317 0.78 CRHBP (0.61) TAAR1CRHBPCRHR2ALDH1A1LMNA
SCHEMBL10054994 0.78 CRHBP (0.67) TAAR1CRHBPCRHR2ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517542-B1 Organic electroluminescence devices SUMITOMO CHEMICAL CO (JP) 1995-08-30 EP disclosed
EP-0517542-A1 Organic electroluminescence devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-12-09 EP disclosed