SCHEMBL2667321

SCHEMBL2667321

C=C(C)SCc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.58
IDO1 P14902 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PNMT P11086 1/20 0.42
DAO P14920 1/20 0.41
PKM P14618 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 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
SCHEMBL12835100 0.82 TAAR1 (0.59) TAAR1IDO1SMN1; SMN2LMNAHTT
SCHEMBL13067159 0.81 SMN1; SMN2 (0.50) TAAR1IDO1SMN1; SMN2LMNAHTT
SCHEMBL15457417 0.81 IDO1 (0.68) TAAR1IDO1SMN1; SMN2LMNAHTT
SCHEMBL29034446 0.74 HTT (0.59) TAAR1IDO1SMN1; SMN2LMNAHTT
SCHEMBL13067268 0.74 SMN1; SMN2 (0.43) TAAR1IDO1SMN1; SMN2LMNAHTT
SCHEMBL66777 0.74 SMN1; SMN2 (0.50) TAAR1IDO1SMN1; SMN2LMNAHTT
SCHEMBL29620133 0.74 SMN1; SMN2 (0.50) TAAR1IDO1SMN1; SMN2LMNAHTT
SCHEMBL13689952 0.74 PKM (0.53) TAAR1IDO1SMN1; SMN2LMNAHTT
SCHEMBL12835039 0.73 IDO1 (0.68) TAAR1IDO1SMN1; SMN2LMNAHTT
SCHEMBL13007579 0.73 IDO1 (1.00) TAAR1IDO1SMN1; SMN2LMNAHTT

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
WO-2007117381-A9 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2008-03-27 WO disclosed
WO-2007117381-A2 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-10-18 WO disclosed