SCHEMBL23398708

SCHEMBL23398708

CCc1c(O)nn(-c2ccccc2)c1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4C Q9H3R0 1/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
PDE4D Q08499 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
P2RX7 Q99572 4/20 0.44
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.41

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
SCHEMBL23399805 0.87 NPC1 (0.52) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL23400167 0.86 ALDH1A1 (0.43) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL23402151 0.85 NPC1 (0.51) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL23399745 0.84 ALDH1A1 (0.45) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL13495147 0.83 NPC1 (0.67) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL23400799 0.83 NR4A3 (0.46) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL12770960 0.82 MEN1 (0.68) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL23403637 0.82 NPC1 (0.50) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL23399328 0.80 PDE4B (0.40) NPC1RAB9AKMT2ATSHRPDE4D
SCHEMBL23401934 0.80 SMN1; SMN2 (0.49) NPC1RAB9AMEN1KMT2ATSHR

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