Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL29265302

Cc1nc(C)c([N+](=O)[O-])c(Oc2cccc(C(F)(F)F)c2)n1.N

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.57
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MCOLN3 Q8TDD5 1/20 0.46
▸ LMNA P02545 2/20 0.43
▸ F10 P00742 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ P2RY1 P47900 1/20 0.39

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
SCHEMBL15170279 0.79 MAPT (0.49) MAPTCYP1A2CYP2C9CYP2C19RECQL
Ammonia Solution, Strong SCHEMBL29265306 0.77 SMN1; SMN2 (0.43) MAPTALDH1A1KMT2AMEN1ABCG2
SCHEMBL6491051 0.76 MAPT (0.56) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL21611354 0.75 MAPT (0.75) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL29265301 0.73 MAPT (0.71) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL30845453 0.73 MAPT (0.71) MAPTCYP1A2CYP2C9CYP2C19RECQL
SCHEMBL1307813 0.71 MAPT (0.59) MAPTCYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL6567167 0.70 MAPT (0.49) MAPTKDM4EALDH1A1NPSR1KMT2A
SCHEMBL24168437 0.70 MAPT (0.54) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL15170075 0.69 ABCG2 (0.54) MAPTCYP1A2CYP2C9CYP2C19RECQL

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
CN-118021833-A Intestinal metabolite regulator and medicine containing regulator 华南农业大学 2024-05-14 — — CN claimed
CN-118021833-A Intestinal metabolite regulator and medicine containing regulator 华南农业大学 2024-05-14 — — CN disclosed
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