SCHEMBL7600124

SCHEMBL7600124

BrCCCc1cccc(I)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
SIGMAR1 Q99720 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35
NOS1 P29475 1/20 0.34

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
SCHEMBL3127217 0.87 TDP1 (0.52) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL5241784 0.87 IDO1 (0.54) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL4402199 0.84 TDP1 (0.46) CYP1A2CYP2D6TDP1LMNATAAR1
SCHEMBL4628854 0.83 IDO1 (0.41) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL16414600 0.81 IDO1 (0.48) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL18242590 0.79 IDO1 (0.47) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL2185954 0.79 CYP1A2 (0.47) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL18377994 0.79 IDO1 (0.52) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL30138668 0.79 LPL (0.49) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL4194332 0.79 LPL (0.49) IDO1CYP1A2CYP2D6CYP2C19THPO

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020028886-A1 Fluorocopolymer and process for preparing the same NIPPON MEKTRON, LTD. 2002-03-07 US disclosed
US-6281312-B1 USING AN ORGANOHALOGEN COMPOUND NIPPON MEKTRON, LTD. (JP) 2001-08-28 US disclosed