SCHEMBL8301807

SCHEMBL8301807

ClCc1ccc(/C=C/c2ccc3ccccc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.68
KDM4E B2RXH2 7/20 0.68
NPC1 O15118 6/20 0.68
LMNA P02545 6/20 0.68
PKM P14618 2/20 0.68
MAPT P10636 7/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
L3MBTL1 Q9Y468 4/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 1/20 0.65
MAPK1 P28482 2/20 0.60
RXFP1 Q9HBX9 1/20 0.60
HTT P42858 3/20 0.57
CYSLTR2 Q9NS75 3/20 0.52
CYSLTR1 Q9Y271 3/20 0.52
GLA P06280 2/20 0.52
ECE2 P0DPD6 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
NFKB1 P19838 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
SCHEMBL8301808 1.00 RAB9A (0.68) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL9170782 0.87 RAB9A (0.89) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL9170780 0.87 RAB9A (0.89) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL10773654 0.84 RAB9A (0.69) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL10773660 0.84 RAB9A (0.69) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL7502713 0.84 CYSLTR2 (0.63) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL7502719 0.84 CYSLTR2 (0.63) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL9704021 0.82 RAB9A (0.74) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL30708723 0.82 RAB9A (0.74) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL8306853 0.82 CYSLTR1 (0.45) RAB9AKDM4ENPC1LMNAPKM

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-0469833-B1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY CO ELI (GB) 1999-09-08 EP disclosed
CN-1040108-C Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1998-10-07 CN disclosed
US-5281593-A Pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1994-01-25 US disclosed
CN-1061413-A Medicinal compound LILLY INDUSTRIES LTD (GB) 1992-05-27 CN disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 EP disclosed