SCHEMBL6740486

SCHEMBL6740486

CC(=O)CC(=O)c1ccc(C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.48
PARP10 Q53GL7 6/20 0.47
PARP4 Q9UKK3 2/20 0.47
PARP1 P09874 2/20 0.47
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 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
SCHEMBL2003577 0.89 KMT2A (0.52) KMT2AALDH1A1CYP3A4MAPTTDP1
SCHEMBL11150129 0.83 MEN1 (0.50) KMT2AALDH1A1CYP3A4MAPTTDP1
SCHEMBL9754092 0.80 TSHR (0.55) CA2CA1KMT2AALDH1A1CYP3A4
SCHEMBL3035986 0.80 NPC1 (0.67) KMT2AALDH1A1MAPTTDP1L3MBTL1
SCHEMBL6351346 0.80 HSD17B3 (0.57) CA2CA1ALDH1A1CYP3A4MAPT
SCHEMBL15312863 0.80 KMT2A (0.70) KMT2AALDH1A1CYP3A4MAPTTDP1
SCHEMBL22919688 0.79 PARP10 (0.50) NOS1PARP10PARP4PARP1CA2
SCHEMBL11060731 0.78 RAB9A (0.44) KMT2AALDH1A1CYP3A4MAPTTDP1
SCHEMBL908578 0.78 ERCC5 (0.62) KMT2AALDH1A1MAPTL3MBTL1POLB
SCHEMBL11813102 0.78 NPC1 (0.64) KMT2AALDH1A1MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040107518-A1 Hetero-anellated ortho-aminophenols and their use as dye components CLARIANT FINANCE (BVI) LIMITED (BR) 2004-06-10 US claimed
EP-1335905-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS Clariant International Ltd. (CH) 2003-08-20 EP claimed
WO-2002038549-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS CLARIANT FINANCE (BVI) LTD. (GB) 2002-05-16 WO claimed
US-3939140-A Process for the preparation of a dyestuff consisting substantially of only unsymmetrical 1:2-chromium complex azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-17 US claimed
US-20040107518-A1 Hetero-anellated ortho-aminophenols and their use as dye components CLARIANT FINANCE (BVI) LIMITED (BR) 2004-06-10 US disclosed
EP-1335905-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS Clariant International Ltd. (CH) 2003-08-20 EP disclosed
WO-2002038549-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS CLARIANT FINANCE (BVI) LTD. (GB) 2002-05-16 WO disclosed
US-4322529-A Tertiary-alkylamine salts of azine dyestuffs CIBA-GEIGY CORPORATION (US) 1982-03-30 US disclosed
US-4213897-A FOR DYEING PAPER SANDOZ LTD. (CH) 1980-07-22 US disclosed
US-4213897-A FOR DYEING PAPER SANDOZ LTD. (CH) 1980-07-22 US disclosed
US-3994872-A SOLUBILITY CIBA-GEIGY CORPORATION (US) 1976-11-30 US disclosed
US-3939140-A Process for the preparation of a dyestuff consisting substantially of only unsymmetrical 1:2-chromium complex azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed