SCHEMBL9850722

SCHEMBL9850722

CCCCCCOc1ccc(Cl)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.47
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
NR5A1 Q13285 1/20 0.41
SLC5A2 P31639 3/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
MCHR1 Q99705 1/20 0.38
TLR8 Q9NR97 1/20 0.38
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL9081748 1.00 SOAT1 (0.47) SOAT1NPC1RECQLRAB9ACYP3A4
SCHEMBL9850717 1.00 SOAT1 (0.47) SOAT1NPC1RECQLRAB9ACYP3A4
SCHEMBL6937171 0.98 SOAT1 (0.44) SOAT1NPC1RECQLRAB9ACYP3A4
SCHEMBL6936975 0.93 NPC1 (0.48) SOAT1NPC1RECQLRAB9ACYP3A4
SCHEMBL6939611 0.87 CHRNB2 (0.42) NPC1RECQLRAB9ASLC5A2CHRNB2
SCHEMBL4273729 0.80 RAB9A (0.56) SOAT1NPC1RECQLRAB9ACYP3A4
SCHEMBL18034939 0.80 NPC1 (0.50) SOAT1NPC1RECQLRAB9ACYP3A4
SCHEMBL2492398 0.79 HTT (0.45) NPC1CHRNB2CHRNA4MEN1MAPT
SCHEMBL12204710 0.79 SOAT1 (0.47) SOAT1NPC1RECQLRAB9ACYP3A4
SCHEMBL10894021 0.78 CHRNB2 (0.41) NPC1RECQLRAB9ACHRNB2CHRNA4

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-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed