Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL11516355

N.O=S(=O)(O)c1ccc2ccccc2c1Cc1ccccc1

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.43
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MPL P40238 1/20 0.40
CTRC Q99895 1/20 0.40
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
GPR35 Q9HC97 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
Ammonia Solution, Strong SCHEMBL11294453 1.00 CTRB1 (0.43) CTRB1HSD17B10CYP1A2CYP2C9CYP2C19
Methane SCHEMBL11515148 0.97 CTRB1 (0.43) CTRB1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL9558384 0.89 HSD17B10 (0.53) CTRB1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL10483753 0.87 HSD17B10 (0.52) CTRB1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL10483759 0.87 HSD17B10 (0.52) CTRB1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL11777460 0.87 HSD17B10 (0.52) CTRB1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL11515145 0.86 CYP2D6 (0.39) CTRB1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL29988453 0.83 CA1 (0.51) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL14991517 0.82 CTRB1 (0.49) CTRB1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL27967352 0.79 KDM4E (0.61) CTRB1HSD17B10CYP1A2CYP2C9CYP2C19

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-4155707-A Wet transfer process CIBA-GEIGY CORPORATION (US) 1979-05-22 US disclosed