SCHEMBL9017448

SCHEMBL9017448

NC1C(CCl)=C(CCl)c2cccc3cccc1c23

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3764804 0.72 GABRA1 (0.33) MAPTKDM4EHTTRECQL
SCHEMBL11819501 0.71 GABRA1 (0.33) MAPTKDM4EHTTRECQL
SCHEMBL28077118 0.65 ALDH1A1 (0.34) MAPTKDM4EHTTRECQLALDH1A1
SCHEMBL27751044 0.61 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1ATMHSD17B10
SCHEMBL4780918 0.61
SCHEMBL9282765 0.60 ALDH1A1 (0.43) MAPTKDM4EHTTRECQLALDH1A1
SCHEMBL19441087 0.59 ALDH1A1 (0.45) MAPTGAAKDM4EHTTRECQL
Water SCHEMBL28276660 0.59 ALDH1A1 (0.42) MAPTKDM4EHTTRECQLALDH1A1
SCHEMBL27950654 0.58 ALDH1A1 (0.55) MAPTKDM4EHTTRECQLALDH1A1
SCHEMBL3051646 0.56 ALDH1A1 (0.52) MAPTKDM4EHTTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578699-A Process for making amino functional poly(para-phenylene vinylene)s THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1996-11-26 US claimed