SCHEMBL3090738

SCHEMBL3090738

S=Cc1ccnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
HPGD P15428 5/20 0.56
CYP1A2 P05177 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 3/20 0.53
LMNA P02545 1/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
NCF1 P14598 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
RAB9A P51151 4/20 0.44

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
SCHEMBL27485338 0.86 MAPT (0.58) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL304325 0.83 MAPT (0.56) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL27500509 0.79 MAPT (0.57) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8159230 0.79 MAPT (0.56) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL28039354 0.79 MAPT (0.56) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL4891963 0.79 MAPT (0.56) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL29935774 0.79 MAPT (0.56) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL3160770 0.79 MAPT (0.56) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL333756 0.79 MAPT (0.56) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL27960132 0.79 MAPT (0.61) MAPTALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
CN-1183132-C Tetracyclic azepinoindole compounds as 5-HT receptor ligands �������Ŷ���Լ��������˾ 2005-01-05 CN disclosed
CN-1161338-C Fluorinated 3,4-dihydroquinoline derivatives used as NOS inhibitors ���ֹɷݹ�˾ 2004-08-11 CN disclosed
CN-1137097-C Aminoalkyl-3, 4-dihydroquinoline derivatives as NO synthase inhibitors ���ֹɷݹ�˾ 2004-02-04 CN disclosed
CN-1326443-A Fluorinated 3,4-dihydroquinoline derivatives used as NOS inhibitors SCHERING AG (DE) 2001-12-12 CN disclosed
CN-1319093-A Aminoalkyl-3,4-dihydroquindine derivates as No-synthase inhibitors SCHERING AG (DE) 2001-10-24 CN disclosed