Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL11565675

COc1ccc(-n2cnc(C)c(C(=O)O)c2=O)cc1.N

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 3/20 0.46
CYP2C19 P33261 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
GRM1 Q13255 6/20 0.46
KCNH2 Q12809 2/20 0.46
MAPK1 P28482 1/20 0.46
HCAR1 Q9BXC0 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
CYP2C9 P11712 1/20 0.42
PI4KA P42356 1/20 0.42

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
SCHEMBL11565008 0.84 SMN1; SMN2 (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL11559116 0.83 RAB9A (0.47) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL11564209 0.83 HTT (0.46) KMT2AMEN1KDM4ESMN1; SMN2MAPK1
SCHEMBL11562309 0.82 RAB9A (0.48) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL23147211 0.82 PTGS2 (0.45) KMT2AKDM4EGRM1HCAR1ESR1
SCHEMBL21385290 0.71 MEN1 (0.45) KMT2AMEN1RAB9ATP53GRM1
SCHEMBL11560097 0.70 SMN1; SMN2 (0.45) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL11560398 0.70 MEN1 (0.51) KMT2AMEN1NPC1CYP2C19RAB9A
SCHEMBL29812449 0.69 PTGS2 (0.44) GRM1HCAR1ESR1ESR2CYP11B2
SCHEMBL11560437 0.69 RAB9A (0.46) NPC1RAB9ASMN1; SMN2GRM1ESR1

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-4147528-A 6-Oxopyrimidine plant growth regulators ROHM AND HAAS COMPANY (US) 1979-04-03 US disclosed