Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL28457989

CC1(C)OB(c2ccc(CC(F)(F)F)cc2)OC1(C)C.N

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.57
LIPG Q9Y5X9 12/20 0.57
F11 P03951 3/20 0.50
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
ESR2 Q92731 1/20 0.47
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL2415330 0.98 LPL (0.59) LPLLIPGF11F2PRSS1
SCHEMBL24336324 0.86 LIPG (0.57) LPLLIPGF11F2PRSS1
SCHEMBL26983231 0.83 LPL (0.54) LPLLIPGF11F2PRSS1
SCHEMBL14790147 0.82 LPL (0.61) LPLLIPGF11F2PRSS1
SCHEMBL24336012 0.81 LIPG (0.65) LPLLIPGF11F2PRSS1
SCHEMBL28366112 0.81 LIPG (0.59) LPLLIPGF11F2PRSS1
SCHEMBL30289570 0.79 LPL (0.57) LPLLIPGF11F2PRSS1
SCHEMBL2319123 0.79 LIPG (0.57) LPLLIPGF11F2PRSS1
SCHEMBL23031440 0.79 LIPG (0.62) LPLLIPGF11F2PRSS1
SCHEMBL2574495 0.78 LPL (0.65) LPLLIPGF11F2PRSS1

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-111655681-A Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase 莱德克斯制药公共有限公司 2020-09-11 CN disclosed