SCHEMBL9304775

SCHEMBL9304775

CCCc1cc2sc(C(CC(=O)S)C(=O)O)nc2cc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
STING1 Q86WV6 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
RIPK1 Q13546 2/20 0.31
ACP1 P24666 1/20 0.31
PIM3 Q86V86 1/20 0.31
ALDH1A1 P00352 2/20 0.31
DYRK1A Q13627 1/20 0.31
PGK1 P00558 1/20 0.31
PDK1 Q15118 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL9304779 0.84 KMT2A (0.35) KMT2ASTING1GAACYP1A2TSHR
SCHEMBL9306087 0.77 ALDH1A1 (0.42) CYP1A2TSHRAGTR1AGTR2PIM3
SCHEMBL9305746 0.77 CASP3 (0.38) STING1AGTR1AGTR2
SCHEMBL9307163 0.76 GAA (0.41) KMT2AGAATSHRMEN1SMN1; SMN2
SCHEMBL8971590 0.76 MAPT (0.50) KMT2ACYP1A2TSHRMEN1SMN1; SMN2
SCHEMBL9304162 0.75 GAA (0.42) STING1GAATSHRSMN1; SMN2ACP1
SCHEMBL9306173 0.74 ALDH1A1 (0.45) KMT2AGAAMEN1SMN1; SMN2RIPK1
SCHEMBL10764649 0.72 PDK1 (0.36) KMT2AGAACYP1A2TSHRMEN1
SCHEMBL8972395 0.71 RAB9A (0.48) KMT2ACYP1A2MEN1SMN1; SMN2ALDH1A1
SCHEMBL8973268 0.70 MEN1 (0.44) KMT2AGAAMEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
EP-0375614-B1 CORROSION-INHIBITING COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5198482-A Benzothiazole carboxylic acid amine salt CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0375614-A1 Corrosion-inhibiting coating compositions CIBA-GEIGY AG (CH) 1990-06-27 EP disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed