SCHEMBL258906

SCHEMBL258906

NCc1ccccc1Nc1ccccc1CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.50
KAT2B Q92831 1/20 0.50
PNMT P11086 3/20 0.48
DPP4 P27487 2/20 0.44
CXCL8 P10145 3/20 0.41
SLC6A4 P31645 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AOC1 P19801 2/20 0.38
AOC3 Q16853 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP2C9 P11712 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL8777074 0.89 BPTF (0.44) BPTFKAT2BPNMTDPP4CXCL8
SCHEMBL3293143 0.87 CXCL8 (0.59) BPTFKAT2BPNMTCXCL8RAB9A
SCHEMBL11850186 0.86 MAPT (0.54) BPTFKAT2BPNMTDPP4KDM4E
SCHEMBL28783831 0.81 SIRT2 (0.53) KDM4E
SCHEMBL3461731 0.80 AOC1 (0.53) BPTFKAT2BPNMTDPP4KDM4E
SCHEMBL13653118 0.80 PTGS2 (0.61) BPTFKAT2BPNMTDPP4CXCL8
Hydrochloric Acid SCHEMBL31662901 0.78 AOC1 (0.55) BPTFKAT2BPNMTDPP4KDM4E
SCHEMBL21486443 0.77 PNMT (0.41) BPTFKAT2BPNMTDPP4ALDH1A1
SCHEMBL6637583 0.77 AOC1 (0.55) BPTFKAT2BPNMTDPP4ALDH1A1
SCHEMBL29405036 0.76 PNMT (0.63) PNMTDPP4KDM4ESMN1; SMN2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110246986-A Organic LED display device 三星显示有限公司 2019-09-17 CN disclosed
CN-106165138-B Organic illuminating element, material of main part, luminescent material and compound 九州有机光材股份有限公司 2019-07-09 CN disclosed
CN-106796994-B Host material for delayed phosphor, organic light emitting element, and compound 九州有机光材股份有限公司 2019-01-11 CN disclosed
US-8134028-B2 Method for producing 1,2-diamino-3-methylcyclohexane and/or 1,2-diamino-4-methylcyclohexane BASF SE (DE) 2012-03-13 US disclosed
US-20090253938-A1 Method for Producing 1,2-Diamino-3-Methylcyclohexane and/or 1,2-Diamino-4-Methylcyclohexane BASF AKTIENGESELLSCHAFT (DE) 2009-10-08 US disclosed
EP-1828097-B1 METHOD FOR PRODUCING 1,2-DIAMINO-3-METHYLCYCLOHEXANE AND/OR 1,2-DIAMINO-4-METHYLCYCLOHEXANE BASF SE (DE) 2008-05-07 EP disclosed
EP-1828097-A1 METHOD FOR PRODUCING 1,2-DIAMINO-3-METHYLCYCLOHEXANE AND/OR 1,2-DIAMINO-4-METHYLCYCLOHEXANE BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
WO-2006066762-A1 METHOD FOR PRODUCING 1,2-DIAMINO-3-METHYLCYCLOHEXANE AND/OR 1,2-DIAMINO-4-METHYLCYCLOHEXANE BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed