SCHEMBL20734907

SCHEMBL20734907

O=C1C=C(OCc2ccc3ccccc3c2)C(Cc2ccccc2)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
RAB9A P51151 1/20 0.42
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
HTR4 Q13639 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4C Q9H3R0 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
SCHEMBL20734912 1.00 ALOX5 (0.42) ALOX5RAB9AMAOBMAOAHRH3
SCHEMBL21929341 0.83 MAOB (0.48) RAB9AMAOBMAOAMRGPRX4
SCHEMBL20734900 0.82 P2RX7 (0.46) MAOBMAOAKCNH2
SCHEMBL20734901 0.82 P2RX7 (0.46) MAOBMAOAKCNH2
SCHEMBL20734910 0.82 MMP1 (0.48) RAB9AMAOBHRH3MEN1KMT2A
SCHEMBL20734808 0.82 ALDH1A1 (0.44) RAB9AHRH3MEN1KMT2AKDM4C
SCHEMBL20734933 0.82 NPSR1 (0.40) MAOBMAOAHRH3SLC6A2SLC6A4
SCHEMBL20734807 0.82 ALDH1A1 (0.44) RAB9AHRH3MEN1KMT2AKDM4C
SCHEMBL20735047 0.82 NPSR1 (0.40) MAOBMAOAHRH3SLC6A2SLC6A4
SCHEMBL24333188 0.81 SIRT2 (0.36) HRH3MEN1KMT2AKDM4CFFAR1

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-2019029273-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京卓凯生物技术有限公司 2019-02-14 WO disclosed
WO-2019029274-A1 4-OXO-ALKYLATED TETRAMIC ACID COMPOUND AND PREPARATION METHOD THEREFOR 北京卓凯生物技术有限公司 2019-02-14 WO disclosed