SCHEMBL28664748

SCHEMBL28664748

CCCCCCCCc1nnn(-c2cccc(Cl)c2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
TGFBR1 P36897 1/20 0.40
SOAT2 O75908 2/20 0.40
SOAT1 P35610 2/20 0.40
POLB P06746 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
SCHEMBL28695680 0.87 CA1 (0.45) IDO1TDO2CNR1CNR2NPC1
SCHEMBL28739956 0.80 CA1 (0.46) CNR1CNR2NPC1RAB9ATGFBR1
SCHEMBL28625889 0.78 GSK3B (0.43) CNR1CNR2NPC1RAB9APOLB
SCHEMBL18933787 0.69 IDO1 (0.48) IDO1TDO2POLB
Hexane SCHEMBL27847071 0.67 TAAR1 (0.53) NPC1RAB9A
SCHEMBL28099573 0.64 IDO1 (0.55) IDO1TDO2NPC1RAB9A
SCHEMBL9991008 0.64 ALDH1A1 (0.46) IDO1TDO2NPC1RAB9ATGFBR1
SCHEMBL23403159 0.64 RPA1 (0.44) CNR1CNR2NPC1RAB9ASOAT2
Heptane SCHEMBL4829326 0.63 TSHR (0.58)
Nonane SCHEMBL10388435 0.63 TSHR (0.58)

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
CN-109187405-B Method for detecting differential protein of effect of 1- (3-chlorphenyl) -5-phenyl-1H-triazole and serum 海南师范大学 2021-11-23 CN disclosed