SCHEMBL9511231

SCHEMBL9511231

Clc1ccc(-c2nc3ccc(Cl)cc3o2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.54
ESR1 P03372 2/20 0.54
ESR2 Q92731 2/20 0.54
APEX1 P27695 1/20 0.51
PSMB8 P28062 1/20 0.50
PSMB5 P28074 1/20 0.50
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
CASP3 P42574 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
SENP8 Q96LD8 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.47
TP53 P04637 4/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL10385204 0.92 MAPT (0.53) PIK3CGESR1ESR2APEX1PSMB8
SCHEMBL9196865 0.89 ESR1 (0.68) ESR1ESR2APEX1
SCHEMBL7573646 0.87 NPC1 (0.56) ESR1ESR2NPC1RAB9AALDH1A1
SCHEMBL10590415 0.86 PIK3CG (0.54) PIK3CGESR1ESR2PSMB8PSMB5
SCHEMBL12704759 0.84 TTR (0.66) ESR1ESR2APEX1NPC1RAB9A
SCHEMBL2245145 0.84 NPC1 (0.57) ESR1ESR2APEX1NPC1RAB9A
SCHEMBL4514393 0.81 MAPT (0.60) PIK3CGPSMB8PSMB5NPC1RAB9A
SCHEMBL14409198 0.80 ESR1 (0.77) ESR1ESR2
SCHEMBL11744415 0.80 MAPT (0.61) PIK3CGESR1ESR2NPC1RAB9A
SCHEMBL2492941 0.80 MAPT (0.72) ESR1ESR2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345513-B1 POLYARYLENEETHERS HAVING BENZOXAZOLE GROUPS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1993-09-08 EP disclosed
US-4960855-A Polyarylene ether containing benzoxazole groups and a process for their preparation BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0345513-A1 Polyaryleneethers having benzoxazole groups and process for their preparation BAYER AG (DE) 1989-12-13 EP disclosed
EP-0332997-A2 Poly(arylene sulphides) containing benzoxazol or oxazoline groups BAYER AG (DE) 1989-09-20 EP disclosed