SCHEMBL18436181

SCHEMBL18436181

COC(C)CNc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 2/20 0.36
FPR2 P25090 1/20 0.35
P2RX3 P56373 1/20 0.35
NPC1 O15118 1/20 0.35
AOC3 Q16853 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7731838 0.90 MAPT (0.41) MAPTGAAMEN1KMT2ARAB9A
SCHEMBL11794003 0.81 NR4A1 (0.41) MAPTGAAMEN1KMT2ACYP1A2
SCHEMBL11172746 0.79 MEN1 (0.43) MAPTGAAMEN1KMT2ARAB9A
SCHEMBL1800738 0.79 MEN1 (0.44) MAPTGAAMEN1KMT2ARAB9A
SCHEMBL11168145 0.76 GAA (0.44) MAPTGAAMEN1KMT2ARAB9A
SCHEMBL8606919 0.76 SLC6A2 (0.50) MAPTGAAMEN1KMT2ARAB9A
SCHEMBL11173870 0.74 ALDH1A1 (0.48) MAPTGAAMEN1KMT2ARAB9A
SCHEMBL9336944 0.73 MEN1 (0.40) MAPTGAAMEN1KMT2ARAB9A
SCHEMBL15165910 0.73 MAPT (0.44) MAPTGAAMEN1KMT2ARAB9A
SCHEMBL24386214 0.72 FFAR2 (0.39) MAPTGAAMEN1KMT2ARAB9A

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
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed