SCHEMBL9136264

SCHEMBL9136264

Cc1ccc(NC(=O)C(=O)O)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.53
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTPN11 Q06124 2/20 0.46
PTPN1 P18031 1/20 0.46
CFTR P13569 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL2855474 0.87 TDP1 (0.52) MAPTTDP1CFTRPOLBKMT2A
SCHEMBL11212757 0.86 MAPT (0.47) MAPTTDP1CFTRPOLBKMT2A
SCHEMBL11320359 0.83 GNG2 (0.53) MAPTTDP1CFTRPOLBKMT2A
SCHEMBL30483162 0.81 TDP1 (0.57) MAPTTDP1POLBKMT2AMEN1
SCHEMBL6827233 0.81 KIF11 (0.52) MAPTTDP1CFTRPOLBNPC1
SCHEMBL2081736 0.81 TDP1 (0.57) MAPTTDP1POLBKMT2AMEN1
SCHEMBL1504525 0.79 NPC1 (0.60) MAPTPOLBKMT2AMEN1NPC1
SCHEMBL31314406 0.79 SMN1; SMN2 (0.52) MAPTTDP1CFTRPOLBKMT2A
SCHEMBL10782684 0.79 SMN1; SMN2 (0.52) MAPTTDP1CFTRPOLBKMT2A
SCHEMBL3241551 0.78 KMT2A (0.69) MAPTPTPN1CFTRPOLBKMT2A

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
US-5453501-A Phthalocyanine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 US disclosed
EP-0582886-A1 Phthalocyanine reactive dyes BAYER AG (DE) 1994-02-16 EP disclosed
EP-0012349-B1 PROCESS FOR PRODUCING PHTHALOCYANINE REACTIVE DYESTUFFS BAYER AG (DE) 1981-11-04 EP disclosed
US-4267107-A WATER SOLUBLE PHTHALOCYANINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-12 US disclosed
US-4246174-A Process for the preparation of phthalocyanine reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed
US-4225492-A Water-soluble disazo dyestuffs, prepared from unsymmetrical heterocyclic diamines CASSELLA AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4144231-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-4144230-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed