SCHEMBL23401205

SCHEMBL23401205

CCCc1nn(-c2ccccc2)c(C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.53
USP2 O75604 1/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PDE4D Q08499 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 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
SCHEMBL23400585 0.91 KDM4C (0.50) KDM4CUSP2NPC1RAB9APDE4D
SCHEMBL23399281 0.87 ALDH1A1 (0.42) KDM4CUSP2NPC1RAB9APDE4D
SCHEMBL23399943 0.87 KDM4C (0.55) KDM4CUSP2NPC1RAB9APDE4D
SCHEMBL23399538 0.85 ALDH1A1 (0.43) KDM4CUSP2NPC1RAB9ASMN1; SMN2
SCHEMBL23401002 0.84 USP2 (0.46) KDM4CUSP2RAB9AKMT2AKDM4E
SCHEMBL23403529 0.83 USP2 (0.45) KDM4CUSP2NPC1RAB9AKMT2A
SCHEMBL23403412 0.82 PDE4D (0.50) NPC1RAB9APDE4DMEN1KMT2A
SCHEMBL23403376 0.81 PDE4B (0.39) KDM4CUSP2PDE4DKMT2AALDH1A1
SCHEMBL23399575 0.81 CYP2C9 (0.46) USP2PDE4DMEN1KMT2AKDM4E
SCHEMBL23401765 0.81 USP2 (0.49) KDM4CUSP2NPC1RAB9APDE4D

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