SCHEMBL18436159

SCHEMBL18436159

COC(C)CNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
LRRK2 Q5S007 11/20 0.40
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL18436182 0.85 POLB (0.36) MAPTKDM4EALDH1A1KMT2ARAB9A
SCHEMBL18436160 0.83 MAPT (0.57) MAPTLRRK2KDM4EALDH1A1RAB9A
SCHEMBL13624236 0.78 MAPT (0.51) MAPTLRRK2KMT2ARAB9A
SCHEMBL13716397 0.77 MAPT (0.63) MAPTLRRK2KMT2ARAB9A
SCHEMBL18436424 0.76 MAPT (0.58) MAPTLRRK2KMT2ARAB9A
SCHEMBL17128163 0.76 MAPT (0.58) MAPTLRRK2KMT2ARAB9A
SCHEMBL7731838 0.75 MAPT (0.41) MAPTALDH1A1KMT2ARAB9AGAA
SCHEMBL13105197 0.73 MAPT (0.66) MAPTLRRK2ALDH1A1KMT2ARAB9A
SCHEMBL13105222 0.73 MAPT (0.66) MAPTLRRK2ALDH1A1KMT2ARAB9A
SCHEMBL11941158 0.71 MAPT (0.47) MAPTLRRK2KDM4EALDH1A1KMT2A

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