SCHEMBL21893500

SCHEMBL21893500

Cc1ncn(-c2ncccc2F)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
HDAC9 Q9UKV0 1/20 0.37
GRM5 P41594 2/20 0.36
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
OPRL1 P41146 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MYC P01106 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GRM1 Q13255 1/20 0.32
MPI P34949 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CHRM4 P08173 1/20 0.31
S1PR4 O95977 1/20 0.31

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
SCHEMBL31352427 0.79 HSD11B1 (0.43) ALOX5AP
SCHEMBL24655968 0.79 TRPV1 (0.34) ALOX5APHDAC9GRM5MAPTKDM4E
SCHEMBL29454959 0.79 EPHX2 (0.47) ALOX5APMAPT
SCHEMBL24656685 0.79 HRH3 (0.34) HDAC9GRM5HRH3MAPTKDM4E
SCHEMBL29935755 0.76 HDAC9 (0.35) HDAC9GRM5HRH3MAPTKDM4E
SCHEMBL4556380 0.76 TRIM24 (0.42) ALOX5APGRM5MAPTLMNAKDM4E
SCHEMBL16202020 0.75 ADORA1 (0.47) MAPTLMNAKDM4EALDH1A1
SCHEMBL30725595 0.75 ADORA1 (0.47) MAPTLMNAKDM4EALDH1A1
SCHEMBL21818380 0.74 TP53 (0.40) HDAC9GRM5MAPTKDM4EMYC
SCHEMBL31381625 0.73 MAPK10 (0.32) ALOX5AP

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
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed