SCHEMBL29434847

SCHEMBL29434847

CC(C)N(c1ccccc1)c1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALOX12 P18054 1/20 0.40
TAAR1 Q96RJ0 4/20 0.38
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL219923 1.00 DHFR (0.42) DHFRALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL30514608 0.80 AOC3 (0.37) DHFRALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL4924599 0.80 AOC3 (0.37) DHFRALDH1A1MAPTSMN1; SMN2HTT
Isopropyldiphenylamine SCHEMBL2119060 0.78 ALDH1A1 (0.50) DHFRALDH1A1MAPTSMN1; SMN2HTT
Isopropyldiphenylamine SCHEMBL2119054 0.78 ALDH1A1 (0.50) DHFRALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL13338402 0.78 ALDH1A1 (0.41) DHFRALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL23278085 0.77 CHEK1 (0.42) ALDH1A1MAPTSMN1; SMN2LMNATAAR1
SCHEMBL11293886 0.76 ALDH1A1 (0.40) DHFRALDH1A1MAPTSMN1; SMN2HTT
Isopropyldiphenylamine SCHEMBL31410717 0.75 ALDH1A1 (0.49) DHFRALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL11476066 0.75 ALDH1A1 (0.53) DHFRALDH1A1MAPTSMN1; SMN2HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202730-B2 Graphene complexes and compositions thereof ARCHER MATERIALS LIMITED (AU) 2025-01-21 US disclosed
US-20220081302-A1 GRAPHENE COMPLEXES AND COMPOSITIONS THEREOF ARCHER MATERIALS LIMITED (AU) 2022-03-17 US disclosed