SCHEMBL23401652

SCHEMBL23401652

Cc1cccc(-c2cn(-c3cccc(C)c3)nc2O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 2/20 0.43
ADORA3 P0DMS8 5/20 0.42
MEN1 O00255 1/20 0.42
ADORA1 P30542 4/20 0.41
ADORA2A P29274 2/20 0.41
RPA1 P27694 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL23400984 0.93 ADORA3 (0.46) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23402722 0.93 ALDH1A1 (0.48) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23400188 0.90 HPGD (0.46) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23399832 0.90 MEN1 (0.45) ALDH1A1NPC1RAB9AKMT2AADORA3
SCHEMBL23399284 0.84 RAB9A (0.48) L3MBTL1NPC1RAB9AKDM4ELMNA
SCHEMBL23398536 0.84 ADORA3 (0.43) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23400202 0.82 ADORA3 (0.47) ALDH1A1L3MBTL1NPC1KMT2AADORA3
SCHEMBL23399557 0.81 CNR2 (0.41) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23398666 0.81 JMJD6 (0.47) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23400477 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1RAB9AKMT2A

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