SCHEMBL8539865

SCHEMBL8539865

Clc1cn(-c2ccccn2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
HTR7 P34969 2/20 0.48
HTR3A P46098 4/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
PTK2 Q05397 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP1A2 P05177 1/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
CTDSP1 Q9GZU7 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
SCHEMBL29022359 0.82 RPS6KA5 (0.42) POLBHTR7HTR3ASMN1; SMN2TDP1
SCHEMBL28554146 0.80 GAA (0.50) POLBRAB9ASMN1; SMN2TDP1ALDH1A1
SCHEMBL28469348 0.80 POLB (0.46) POLBHTR7RAB9ASMN1; SMN2TDP1
SCHEMBL26297808 0.79 POLB (0.49) POLBHTR7HTR3ARAB9ASMN1; SMN2
SCHEMBL19329297 0.79 POLB (0.49) POLBHTR7HTR3ARAB9ASMN1; SMN2
SCHEMBL19100158 0.79 RPS6KA5 (0.52) POLBTDP1ALDH1A1MAPK1KDM4E
SCHEMBL28180400 0.77 CDC7 (0.58) CDC7CDK2
SCHEMBL13335086 0.77 POLB (0.46) POLBHTR7HTR3ARAB9ASMN1; SMN2
SCHEMBL18585738 0.76 CDC7 (0.60) CDC7CDK2
SCHEMBL26297807 0.76 HTR7 (0.48) POLBHTR7HTR3ARAB9ASMN1; SMN2

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-0580502-B1 3-(Hydroxybenzylidenyl)-indoline-2-ones and pharmaceutical compositions containing them ADIR (FR) 1998-09-02 EP disclosed
US-5382593-A Antioxidants or anticoagulants ADIR ET COMPAGNIE (FR) 1995-01-17 US disclosed
EP-0580502-A1 3-(Hydroxybenzylidenyl)-indoline-2-ones and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-01-26 EP disclosed