SCHEMBL3242267

SCHEMBL3242267

CCCCc1[nH]c(Cc2ccccc2)nc1-c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
GAA P10253 1/20 0.39
HSD11B1 P28845 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
APLNR P35414 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL3242206 0.93 GAA (0.42) GAAHSD11B1ADORA3APLNR
SCHEMBL3241219 0.89 GPR84 (0.47) POLBLMNAHTTGAAHSD11B1
SCHEMBL27815899 0.89 TLR8 (0.45) GAAHSD11B1APLNR
SCHEMBL3242578 0.88 GPR84 (0.46) POLBLMNAHTTGAAHSD11B1
SCHEMBL3237304 0.88 GPR84 (0.46) POLBLMNAHTTGAAHSD11B1
SCHEMBL3244818 0.88 GPR84 (0.46) POLBLMNAHTTGAAHSD11B1
SCHEMBL3249140 0.87 HSD11B1 (0.45) POLBLMNAHTTHSD11B1
SCHEMBL3241474 0.85 HSD11B1 (0.48) HTR2AHSD11B1
SCHEMBL27835532 0.83 GCGR (0.37) HTR2AHSD11B1
SCHEMBL3244357 0.82 GCGR (0.38) NPC1RAB9AATM

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
WO-2010024472-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-03-04 WO disclosed