SCHEMBL11100280

SCHEMBL11100280

Cc1cc(-c2cc(C)cc3c(Cl)cc(C(Cl)(Cl)Cl)nc23)c2nc(C(Cl)(Cl)Cl)cc(Cl)c2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.36
GPR35 Q9HC97 1/20 0.36
LMNA P02545 1/20 0.35
NUDT1 P36639 1/20 0.35
MAPT P10636 1/20 0.33
CRHR1 P34998 1/20 0.32
SLC40A1 Q9NP59 2/20 0.31
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL9493428 0.88 GPR35 (0.37) GPR35LMNAMAPTSLC40A1PIM1
SCHEMBL9493433 0.76 GPR35 (0.36) GPR35MAPTPARP1
SCHEMBL11099657 0.74 CRHR1 (0.49) LMNAMAPTCRHR1PARP1
SCHEMBL9495375 0.74 PPARA (0.44) GPR35LMNAMAPTSLC40A1
SCHEMBL21144535 0.74 MAPT (0.39) LMNAMAPT
SCHEMBL10824100 0.73 BCHE (0.38) GPR35
SCHEMBL9492602 0.72 LMNA (0.64) LMNAMAPT
SCHEMBL9492598 0.71 ELANE (0.44) MAPTCRHR1PARP1
SCHEMBL9493152 0.69 NR4A2 (0.46) LMNAMAPTCRHR1PIM1PARP1
SCHEMBL9492838 0.69 LMNA (0.46) LMNAMAPTPIM1PARP1

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
EP-0113432-A1 Chloromethyl quinoline derivatives, process for their preparation and their use ALKALOIDA VEGYéSZETI GYáR (HU) 1984-07-18 EP claimed