SCHEMBL9413729

SCHEMBL9413729

Cc1ccncc1OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
SIRT3 Q9NTG7 1/20 0.47
POLB P06746 1/20 0.39
SSTR4 P31391 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4C Q9H3R0 2/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
NOTUM Q6P988 4/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KDM4D Q6B0I6 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
SCHEMBL485961 0.85 TDP1 (0.43) TDP1SIRT3POLBSSTR4PTGDR2
SCHEMBL10953461 0.85 TDP1 (0.47) TDP1SIRT3POLBSSTR4CHRNB2
SCHEMBL9413724 0.83 SIRT3 (0.55) TDP1SIRT3POLBSSTR4CHRNB2
SCHEMBL30600926 0.83 SIRT3 (0.55) TDP1SIRT3POLBSSTR4CHRNB2
SCHEMBL377258 0.82 ALDH1A1 (0.39) TDP1SIRT3KDM4CKDM4EALDH1A1
SCHEMBL27544390 0.81 POLB (0.55) POLBKDM4EALDH1A1KMT2AMEN1
SCHEMBL29852333 0.80 ACHE (0.50) TDP1SIRT3SSTR4CHRNB2CHRNA4
SCHEMBL28080623 0.80 SIRT3 (0.43) TDP1SIRT3SSTR4KDM4CPTGS1
SCHEMBL9413735 0.78 CYP2E1 (0.38) TDP1PTGDR2KDM4CPTGS1PTGS2
SCHEMBL4633602 0.77 ALDH1A1 (0.48) TDP1SIRT3KDM4CKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602562-A1 Process for the preparation of phthalocyanine reactive dyes BASF Aktiengesellschaft (DE) 1994-06-22 EP disclosed
EP-0527441-A2 Water-soluble phthalocyanine dyes, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-17 EP disclosed
EP-0192964-B1 PHTHALOCYANINE REACTIVE DYES BAYER AG (DE) 1988-11-30 EP disclosed
EP-0192964-A2 Phthalocyanine reactive dyes BAYER AG (DE) 1986-09-03 EP disclosed
EP-0075905-B1 WATER-SOLUBLE REACTIVE PHTHALOCYANINE COMPOUNDS; PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-15 EP disclosed
EP-0075905-A2 Water-soluble reactive phthalocyanine compounds; process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-06 EP disclosed