SCHEMBL10880537

SCHEMBL10880537

Cc1ccc(NC(=O)c2cccc(N)c2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.58
▸ NPC1 O15118 7/20 0.55
▸ RAB9A P51151 7/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ GFER P55789 2/20 0.51
▸ CASP3 P42574 2/20 0.50
▸ SENP8 Q96LD8 2/20 0.50
▸ SENP7 Q9BQF6 2/20 0.50
▸ SENP6 Q9GZR1 2/20 0.50

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
SCHEMBL11819146 0.88 ALDH1A1 (0.66) TDP1NPC1RAB9AHSD17B10LMNA
SCHEMBL1961876 0.83 NPC1 (0.68) TDP1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL7183238 0.82 RAB9A (0.67) TDP1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL10489953 0.81 ALDH1A1 (0.76) TDP1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL7058035 0.81 RAB9A (0.79) TDP1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL5667964 0.80 NPC1 (0.51) TDP1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL5742618 0.76 RAB9A (0.68) TDP1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL1579322 0.76 MMP2 (0.48) TDP1NPC1RAB9AHSD17B10MAPT
SCHEMBL9976437 0.76 NPC1 (0.71) TDP1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL7833293 0.76 MMP2 (0.52) NPC1RAB9AHSD17B10LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0065811-B1 DISPERSE AZOPYRIMIDINE DYESTUFFS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 — — EP disclosed
US-4146535-A Azo dyes having a 3-cyano- or 3-carbamoyl-2,6-diamino-pyridine coupling component BASF AKTIENGESELLSCHAFT (DE) 1979-03-27 — — US disclosed
US-3979378-A Water-soluble azo dyes having a substituted 2-hydroxypyridone (6) coupling component BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-09-07 — — US disclosed
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