SCHEMBL9253543

SCHEMBL9253543

COc1ccc(OC)c(NC(=O)Oc2cc3ccccc3cc2O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.65
KMT2A Q03164 6/20 0.57
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 4/20 0.57
HPGD P15428 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HSP90AA1 P07900 1/20 0.56
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
LMNA P02545 2/20 0.54
TP53 P04637 1/20 0.52
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.49

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
SCHEMBL9250804 0.88 KMT2A (0.58) PPARGKMT2AALDH1A1MEN1KDM4E
SCHEMBL9621995 0.88 PPARG (0.69) PPARGKMT2AALDH1A1MEN1HPGD
SCHEMBL10437858 0.86 RAB9A (0.52) PPARGKMT2AALDH1A1MEN1HSP90AA1
SCHEMBL10437732 0.83 NPC1 (0.63) KMT2AALDH1A1MEN1HPGDMAPT
SCHEMBL10352865 0.82 KDM4E (0.62) PPARGKMT2AALDH1A1MEN1HPGD
SCHEMBL10352019 0.82 KDM4E (0.69) PPARGKMT2AALDH1A1MEN1HPGD
SCHEMBL8595732 0.82 GAA (0.60) PPARGKMT2AALDH1A1MEN1HPGD
SCHEMBL10352196 0.81 MEN1 (0.57) PPARGKMT2AALDH1A1MEN1KDM4E
SCHEMBL29440796 0.81 MEN1 (0.70) PPARGKMT2AALDH1A1MEN1HPGD
SCHEMBL29440795 0.81 MEN1 (0.70) PPARGKMT2AALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0391264-B1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF AG (DE) 1995-01-18 EP disclosed
EP-0352682-B1 Twice reactive dyes and benzyl compounds as their intermediary products BASF AG (DE) 1994-02-02 EP disclosed
EP-0391264-A1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF Aktiengesellschaft (DE) 1990-10-10 EP disclosed
EP-0352682-A2 Twice reactive dyes and benzyl compounds as their intermediary products BASF Aktiengesellschaft (DE) 1990-01-31 EP disclosed
EP-0307817-A1 Double reacting dyes and benzyl sulfonyl intermediates BASF Aktiengesellschaft (DE) 1989-03-22 EP disclosed
EP-0119441-B1 REACTIVE DYES WITH SUBSTITUTED 4-FLUOROPYRIDAZ-6-ONE GROUPS BASF Aktiengesellschaft (DE) 1987-02-25 EP disclosed
EP-0133270-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1985-02-20 EP disclosed
EP-0119441-A2 Reactive dyes with substituted 4-fluoropyridaz-6-one groups BASF Aktiengesellschaft (DE) 1984-09-26 EP disclosed
EP-0031099-B1 COMPOUNDS WITH REACTIVE RESTS AND THEIR USE IN DYEING FIBRES BASF Aktiengesellschaft (DE) 1984-07-18 EP disclosed
EP-0031099-A2 Compounds with reactive rests and their use in dyeing fibres BASF Aktiengesellschaft (DE) 1981-07-01 EP disclosed