SCHEMBL14101048

SCHEMBL14101048

Clc1ccc(CCOCCBr)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SIGMAR1 Q99720 12/20 0.44
IDO1 P14902 3/20 0.44
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
NR1I3 Q14994 1/20 0.39
KCNA5 P22460 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL1179573 0.83 IDO1 (0.55) PNMTTAAR1SIGMAR1IDO1MEN1
SCHEMBL4742633 0.81 PNMT (0.50) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL177296 0.80 PNMT (0.61) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL30019331 0.80 PNMT (0.61) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL9613957 0.79 TAAR1 (0.45) TAAR1SIGMAR1IDO1IGF1RALOX15
SCHEMBL79213 0.76 IGF1R (0.58) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL3589323 0.76 FFAR1 (0.51) PNMTTAAR1SIGMAR1IGF1RALOX15
SCHEMBL16771200 0.75 PNMT (0.55) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL4741469 0.74 FFAR1 (0.49) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL7009306 0.73 IGF1R (0.59) PNMTTAAR1SIGMAR1IDO1IGF1R

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-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed