SCHEMBL31458627

SCHEMBL31458627

Cc1cc(C)c(-c2cccc(Br)n2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.37
RAPGEF4 Q8WZA2 2/20 0.36
CRHR1 P34998 2/20 0.36
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
RAB9A P51151 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAOB P27338 1/20 0.31

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
SCHEMBL2072180 1.00 HTR7 (0.37) HTR7RAPGEF4CRHR1CCR1CCR8
SCHEMBL4628888 0.98 HTR7 (0.36) HTR7RAPGEF4CRHR1CCR1CCR8
SCHEMBL12999311 0.86 HTR7 (0.44) HTR7CCR1CCR8CYP1A2CYP2A6
SCHEMBL3623211 0.86 CCR1 (0.42) HTR7RAPGEF4CRHR1CCR1CCR8
SCHEMBL31655443 0.84 CCR1 (0.46) HTR7RAPGEF4CRHR1CCR1CCR8
SCHEMBL30828141 0.80 CCR1 (0.60) HTR7CRHR1CCR1CCR8CYP1A2
SCHEMBL19426863 0.80 CCR1 (0.60) HTR7CRHR1CCR1CCR8CYP1A2
SCHEMBL31458592 0.78 ALPL (0.43) CYP1A2CYP2A6ALDH1A1MAPK1RAB9A
SCHEMBL4627339 0.75 CRHR1 (0.33) CRHR1ALDH1A1MAPK1
SCHEMBL14732986 0.74 TGFBR1 (0.43) CCR1CCR8ALDH1A1MAPK1RAB9A

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-115260366-B Catalyst system for forming multiblock copolymers 陶氏环球技术有限责任公司 2025-01-28 CN disclosed