SCHEMBL23403142

SCHEMBL23403142

CCCc1nn(-c2ccccc2C)c(O)c1-c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
DPP4 P27487 2/20 0.36
LMNA P02545 1/20 0.35
ALPL P05186 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL23398639 0.93 ADORA1 (0.38) ADORA1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL23401319 0.92 ALDH1A1 (0.43) ADORA1ALDH1A1MAPTKDM4ELMNA
SCHEMBL23400027 0.90 ADORA1 (0.42) ADORA1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL23403413 0.85 ALDH1A1 (0.36) ADORA1ALDH1A1MAPTDPP4LMNA
SCHEMBL23399678 0.84 USP2 (0.43) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL23398803 0.84 ADORA1 (0.39) ADORA1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL23402528 0.82 MAPT (0.42) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL23399535 0.82 USP2 (0.40) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL23403266 0.81 ALDH1A1 (0.45) ADORA1ALDH1A1MAPTKDM4ELMNA
SCHEMBL23401670 0.81 ADORA1 (0.51) ADORA1ALDH1A1MAPTKMT2ATSHR

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed