Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL10867243

N.N.O=C(O)CC(CSc1nc2ccccc2o1)C(=O)O

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
RAB9A P51151 5/20 0.55
MEN1 O00255 4/20 0.55
HPGD P15428 3/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
GFER P55789 1/20 0.52
MAPT P10636 2/20 0.48
DDAH1 O94760 1/20 0.48
ADRA2C P18825 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ALPL P05186 1/20 0.46

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 SCHEMBL10890190 1.00 KMT2A (0.55) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL8973462 0.99 KMT2A (0.56) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL10894262 0.97 KMT2A (0.55) KMT2ARAB9AMEN1HPGDNPC1
Dimethylamine SCHEMBL10893710 0.94 ALDH1A1 (0.54) KMT2ARAB9AMEN1HPGDNPC1
Dimethylamine SCHEMBL10893716 0.94 ALDH1A1 (0.54) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL10888610 0.90 ALDH1A1 (0.50) KMT2ARAB9AMEN1HPGDNPC1
Trolamine SCHEMBL10888607 0.90 KMT2A (0.48) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL10761833 0.88 KMT2A (0.53) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL9305494 0.87 KMT2A (0.55) KMT2ARAB9AMEN1HPGDNPC1
SCHEMBL9305760 0.86 KMT2A (0.54) KMT2ARAB9AMEN1HPGDNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed
EP-0183647-A1 Anti-corrosive aqueous paints CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0128862-A2 Anti-corrosive coating composition CIBA-GEIGY AG (CH) 1984-12-19 EP disclosed