SCHEMBL10042902

SCHEMBL10042902

CCCCc1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4cc4ccccc34)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
BCHE P06276 2/20 0.44
HSD11B1 P28845 2/20 0.43
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
RARB P10826 1/20 0.39
CNR2 P34972 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALOX5 P09917 1/20 0.38
PSMB5 P28074 1/20 0.38
PTPN1 P18031 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CTRC Q99895 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL14004030 0.92 PDE10A (0.40) DHODHBCHETRPV1ALOX5ALDH1A1
SCHEMBL6059665 0.86 CTSV (0.49) DHODHHSD11B1CTSVCTSLRARB
SCHEMBL6033176 0.84 ALOX5 (0.50) ALOX5ALDH1A1
SCHEMBL2214623 0.84 ALOX5 (0.50) ALOX5ALDH1A1
SCHEMBL339120 0.84 ALOX5 (0.50) ALOX5ALDH1A1
SCHEMBL309398 0.82 RARB (0.54) BCHEHSD11B1RARBTRPV1CA1
SCHEMBL38667 0.82 RARB (0.54) BCHEHSD11B1RARBTRPV1CA1
SCHEMBL12533891 0.82 RARB (0.54) BCHEHSD11B1RARBTRPV1CA1
SCHEMBL289833 0.82 RARB (0.54) BCHEHSD11B1RARBTRPV1CA1
SCHEMBL13474962 0.82 RARB (0.54) BCHEHSD11B1RARBTRPV1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120037889-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE AND ILLUMINATION DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2012-02-16 US disclosed