SCHEMBL9495375

SCHEMBL9495375

Cc1c(Cl)ccc2c(Cl)cc(C(Cl)(Cl)Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.44
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 2/20 0.40
GPR35 Q9HC97 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
PDPK1 O15530 1/20 0.36
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NR4A2 P43354 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33

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
SCHEMBL21144535 0.87 MAPT (0.39) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL11099839 0.84 MAPT (0.35) PPARAMAPTL3MBTL1KMT2AMEN1
SCHEMBL9492598 0.79 ELANE (0.44) MAPTL3MBTL1KMT2AMEN1KDM4E
SCHEMBL20562217 0.79 CYP3A4 (0.37) MAPTL3MBTL1KDM4EPKMHTT
SCHEMBL9493152 0.78 NR4A2 (0.46) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL9493428 0.75 GPR35 (0.37) MAPTGPR35L3MBTL1KMT2AMEN1
SCHEMBL11099657 0.75 CRHR1 (0.49) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL9493489 0.75 ALDH1A1 (0.43) NPSR1L3MBTL1ALDH1A1KDM4EHTT
SCHEMBL11100280 0.74 F2RL3 (0.36) MAPTGPR35LMNASLC40A1
SCHEMBL9492503 0.74 CYP3A4 (0.40) MAPTNPSR1L3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0113432-B1 CHLOROMETHYL QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE ALKALOIDA VEGYéSZETI GYáR (HU) 1993-03-17 EP claimed
EP-0113432-A1 Chloromethyl quinoline derivatives, process for their preparation and their use ALKALOIDA VEGYéSZETI GYáR (HU) 1984-07-18 EP claimed