SCHEMBL18436160

SCHEMBL18436160

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
LRRK2 Q5S007 10/20 0.40
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.36
POLB P06746 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
SCHEMBL18436159 0.83 MAPT (0.51) MAPTLRRK2RAB9AKDM4EALDH1A1
SCHEMBL13716397 0.82 MAPT (0.63) MAPTLRRK2RAB9APOLB
SCHEMBL13624236 0.81 MAPT (0.51) MAPTLRRK2RAB9A
SCHEMBL30874657 0.78 MAPT (0.58) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL30874694 0.76 MAPT (0.53) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL17128163 0.75 MAPT (0.58) MAPTLRRK2RAB9APOLB
SCHEMBL18436424 0.75 MAPT (0.58) MAPTLRRK2RAB9APOLB
SCHEMBL13105197 0.75 MAPT (0.66) MAPTLRRK2RAB9AALDH1A1POLB
SCHEMBL13105222 0.75 MAPT (0.66) MAPTLRRK2RAB9AALDH1A1POLB
SCHEMBL6625140 0.73 MAPT (0.56) MAPTLRRK2RAB9AKDM4EALDH1A1

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