Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL29002249

CC(C)(C)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1.N

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.54
DGAT1 O75907 7/20 0.51
KCNH2 Q12809 6/20 0.51
SOAT1 P35610 3/20 0.47
HDAC6 Q9UBN7 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL31027889 0.84 HDAC6 (0.64) NPBWR1DGAT1KCNH2SOAT1HDAC6
SCHEMBL21705325 0.84 HDAC6 (0.64) NPBWR1DGAT1KCNH2SOAT1HDAC6
SCHEMBL15245227 0.83 HDAC6 (0.62) NPBWR1DGAT1KCNH2SOAT1HDAC6
SCHEMBL15245140 0.82 DGAT1 (0.67) NPBWR1DGAT1KCNH2SOAT1TRPV1
SCHEMBL24074323 0.81 HDAC6 (0.60) NPBWR1DGAT1KCNH2SOAT1HDAC6
SCHEMBL20661102 0.81 KDM4E (0.59) NPBWR1DGAT1KCNH2
SCHEMBL20661007 0.80 PARP1 (0.53) NPBWR1DGAT1KCNH2
SCHEMBL15245237 0.80 KIF11 (0.59) NPBWR1DGAT1KCNH2SOAT1HDAC6
SCHEMBL19994514 0.79 NPBWR1 (0.50) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL30343725 0.79 NPBWR1 (0.50) NPBWR1DGAT1KCNH2SOAT1

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-110234640-B Benzimidazole derivatives as anticancer agents 利昂贝拉尔中心 2023-04-07 CN disclosed