SCHEMBL31447451

SCHEMBL31447451

CC(C)c1ccc2nc3ccccc3nc2c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 11/20 0.42
MAPT P10636 5/20 0.41
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 3/20 0.41
MAPK1 P28482 2/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 2/20 0.41
THRB P10828 2/20 0.41
BLM P54132 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 3/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL20915022 1.00 NQO2 (0.42) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL22142540 0.77 NQO2 (0.39) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL4654883 0.72 MAPT (0.69) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL28705258 0.72 NQO2 (0.42) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL9953356 0.70 RAB9A (0.42) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL16746142 0.69 MEN1 (0.35) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL17066129 0.68 RAB9A (0.40) NQO2MAPTRAB9AALDH1A1KMT2A
SCHEMBL16746091 0.68 MAPT (0.40) MAPTALDH1A1KMT2AGAANPC1
SCHEMBL16746076 0.68 MAPT (0.43) MAPTALDH1A1KMT2AGAAMAPK1
SCHEMBL13706080 0.68 KDM1A (0.52) NQO2MAPTRAB9AALDH1A1KMT2A

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
US-20250043135-A1 ELECTROCHROMIC GELS AND DEVICES CONTAINING THEM PPG INDUSTRIES OHIO, INC. (US) 2025-02-06 US disclosed