SCHEMBL7466689

SCHEMBL7466689

O=Cc1nc2c(ccc3ccccc32)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
PTPN1 P18031 6/20 0.42
POLB P06746 1/20 0.42
MCL1 Q07820 1/20 0.40
ERN1 O75460 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL7469479 0.84 TDP1 (0.48) TDP1PTPN1POLBMCL1KDM4E
SCHEMBL7469477 0.84 TDP1 (0.48) TDP1PTPN1POLBMCL1KDM4E
SCHEMBL1643210 0.79 ELANE (0.51) TDP1POLBKDM4EHPGDHTT
SCHEMBL1086730 0.79 ELANE (0.51) TDP1POLBKDM4EHPGDHTT
SCHEMBL29539680 0.79 ELANE (0.51) TDP1POLBKDM4EHPGDHTT
SCHEMBL11774235 0.75 TDP1 (0.56) TDP1PTPN1MCL1KDM4EHPGD
SCHEMBL318266 0.74 TDP1 (0.44) TDP1KDM4EHPGDHTTALDH1A1
SCHEMBL318267 0.74 TDP1 (0.44) TDP1KDM4EHPGDHTTALDH1A1
SCHEMBL8600070 0.73 TDP1 (0.57) TDP1PTPN1POLBMCL1KDM4E
SCHEMBL4703042 0.73 TDP1 (0.57) TDP1PTPN1MCL1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771796-B1 Substituted S-triazines and process for their preparation AGFA GEVAERT (BE) 2002-06-19 EP disclosed
EP-0771796-A1 Substituted S-triazines and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-07 EP disclosed
EP-0041675-B1 4-HALOGEN-5-(TRICHLOROMETHYL-PHENYL)-OXAZOLE DERIVATIVES, PROCESS FOR PREPARING THEM AND RADIATION-SENSITIVE COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-11 EP disclosed
US-4371607-A 4-Halogeno-5-(halogenomethyl-phenyl)-oxazole derivatives, a process for the preparation thereof, and radiation-sensitive compositions containing these derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-01 US disclosed
EP-0041675-A2 4-Halogen-5-(trichloromethyl-phenyl)-oxazole derivatives, process for preparing them and radiation-sensitive compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-16 EP disclosed