SCHEMBL11403876

SCHEMBL11403876

Clc1ccc(CCCc2nc[nH]n2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.44
S1PR4 O95977 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.38
ACLY P53396 1/20 0.37
DAO P14920 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.36
INPPL1 O15357 1/20 0.36

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
SCHEMBL11322460 0.77 CYP1A2 (0.64) IDO1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL16673303 0.75 L3MBTL1 (0.39)
SCHEMBL7988972 0.74 IDO1 (0.54) IDO1S1PR4CYP1A2CYP3A4CYP2C9
SCHEMBL16995668 0.72 MAPT (0.49) IDO1KMT2AMAPK1HTTHPGD
SCHEMBL16673289 0.71 L3MBTL1 (0.37)
SCHEMBL11621292 0.71 IDO1 (0.65) IDO1GPR84CYP1A2CYP3A4CYP2C9
SCHEMBL11297722 0.71 TAAR1 (0.43) IDO1S1PR4CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL14829950 0.71 IDO1 (0.53) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL10504825 0.70 SMN1; SMN2 (0.38) IDO1MEN1KMT2AGPR84CYP1A2
SCHEMBL4490098 0.69

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-0025882-A1 N-Phenylpropyl-substituted azoles, process for their preparation and fungicides containing them BASF Aktiengesellschaft (DE) 1981-04-01 EP disclosed