SCHEMBL23399389

SCHEMBL23399389

Cc1cccc(-c2c(O)cnn2-c2cccc(C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
KMT2A Q03164 4/20 0.49
PAX8 Q06710 1/20 0.47
RPA1 P27694 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
GFER P55789 1/20 0.43
TP53 P04637 2/20 0.43
NR3C1 P04150 1/20 0.42
KHK P50053 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL23401560 0.93 NPC1 (0.58) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23403620 0.93 NPC1 (0.51) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23403218 0.90 NPC1 (0.46) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23400243 0.90 L3MBTL1 (0.52) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23401785 0.84 MAPT (0.48) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23401909 0.81 IDO1 (0.44) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23400911 0.81 NPC1 (0.43) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL23399056 0.81 NPC1 (0.51) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23400529 0.80 PRMT5 (0.43) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL23401777 0.79 NPC1 (0.59) 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