SCHEMBL7020172

SCHEMBL7020172

CS(=O)(=O)OCc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP19A1 P11511 3/20 0.43
FFAR4 Q5NUL3 1/20 0.43
VCAM1 P19320 2/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL5673054 0.90 HSD17B10 (0.49) HSD17B10LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1530459 0.86 CYP19A1 (0.44) ALDH1A1CYP19A1TDP1
SCHEMBL5035784 0.83 CYP19A1 (0.54) LMNAALDH1A1KMT2ACYP19A1TDP1
SCHEMBL863170 0.83 HSD17B10 (0.55) HSD17B10LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL28695929 0.82 HSD17B10 (0.58) HSD17B10LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5913007 0.82 CYP1A2 (0.51) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL3553831 0.82 CYP19A1 (0.43) ALDH1A1CYP19A1TDP1
SCHEMBL1827226 0.82 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1CYP19A1TDP1
SCHEMBL1023938 0.81 MEN1 (0.41) LMNAALDH1A1KMT2AMEN1CYP19A1
SCHEMBL5906181 0.79 HTT (0.53) LMNAALDH1A1CYP19A1TDP1

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
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed