SCHEMBL24929602

SCHEMBL24929602

Ic1cccc(-c2nnc[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.46
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
APP P05067 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GALR1 P47211 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 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
SCHEMBL22053004 0.78 ALDH1A1 (0.49) METAP2
SCHEMBL4345238 0.78 IDO1 (0.50)
SCHEMBL3754960 0.78 ENPP2 (0.50) METAP2
SCHEMBL12127268 0.78 IDO1 (0.50)
SCHEMBL4333689 0.78 IDO1 (0.46) METAP2MAPK14
SCHEMBL30311721 0.78 ALDH1A1 (0.49) METAP2
SCHEMBL2491046 0.76 MTOR (0.45)
SCHEMBL12130494 0.74
SCHEMBL21257451 0.74 IDO1 (0.50)
SCHEMBL939949 0.74 KMO (0.53) KEAP1

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-2023009618-A1 BICYCLIC PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO, INC. (US) 2023-02-02 WO disclosed