SCHEMBL28038778

SCHEMBL28038778

CC(C)(C)c1ccc(C(=O)c2ccccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.66
AGTR1 P30556 1/20 0.62
TNF P01375 1/20 0.60
KLF5 Q13887 1/20 0.60
NOD2 Q9HC29 1/20 0.60
NOD1 Q9Y239 1/20 0.60
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.53
SRD5A2 P31213 1/20 0.51
HSD17B14 Q9BPX1 1/20 0.51
TRPV1 Q8NER1 2/20 0.51
PLA2G1B P04054 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
TLR7 Q9NYK1 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL27314373 0.83 TLR7 (0.70) KMT2ASRD5A2HSD17B14TRPV1TLR7
SCHEMBL16473181 0.83 KMT2A (0.60) KMT2AAGTR1TNFKLF5NOD2
SCHEMBL743166 0.81 KMT2A (0.72) KMT2ANPC1RAB9AHSD17B14ALDH1A1
SCHEMBL29485021 0.81 KMT2A (0.72) KMT2ANPC1RAB9AHSD17B14ALDH1A1
SCHEMBL398165 0.80 KMT2A (1.00) KMT2AAGTR1NPC1RAB9AHSD17B14
SCHEMBL29373829 0.80 KMT2A (1.00) KMT2AAGTR1NPC1RAB9AHSD17B14
SCHEMBL12775476 0.80 KMT2A (0.56) KMT2AAGTR1TNFKLF5NOD2
SCHEMBL13600090 0.79 KMT2A (0.81) KMT2ANPC1RAB9ASRD5A2HSD17B14
SCHEMBL29571462 0.79 KMT2A (0.75) KMT2ANPC1GAARAB9AHSD17B14
SCHEMBL2485773 0.79 KMT2A (0.75) KMT2ANPC1GAARAB9AHSD17B14

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
CN-103483245-B The improvement in synthesis of disinfectant use in agriculture pyrimorph CHINA AGRICULTURAL UNIVERSITY (CN) 2015-12-23 CN claimed