SCHEMBL7746341

SCHEMBL7746341

O=[N+]([O-])c1ccc(S(=O)(=O)n2nnc3ccccc32)c([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
TSHR P16473 3/20 0.51
HSD17B10 Q99714 2/20 0.51
SLC9A1 P19634 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
GAA P10253 3/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALOX5 P09917 1/20 0.46
MGAM O43451 1/20 0.45
AMY1A P0DUB6 1/20 0.45

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
SCHEMBL7565277 0.84 ALDH1A1 (0.60) ALDH1A1KMT2ATSHRHSD17B10SLC9A1
SCHEMBL11439834 0.82 SLC9A1 (0.70) ALDH1A1KMT2AMEN1TSHRHSD17B10
SCHEMBL29475408 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL15555682 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL13265964 0.77 SMN1; SMN2 (0.52) ALDH1A1KMT2ATSHRHSD17B10SLC9A1
SCHEMBL13265836 0.77 HTT (0.49) ALDH1A1KMT2ATSHRHSD17B10SLC9A1
SCHEMBL19911560 0.76 SLC9A1 (0.61) ALDH1A1KMT2AMEN1SLC9A1HTT
SCHEMBL19911567 0.76 SLC9A1 (0.61) ALDH1A1KMT2AMEN1SLC9A1HTT
SCHEMBL6298273 0.74 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL3733548 0.72 KMT2A (0.54) ALDH1A1KMT2AMEN1HTTSMN1; SMN2

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
US-6171767-B1 BLACK-AND-WHITE PHOTOTHERMOGRAPHIC ELEMENT WITH AN IMAGING COATING COMPRISING PHOTOSENSITIVE SILVER HALIDE, REDUCIBLE SILVER SOURCE, REDUCING AGENT, BINDER, BENZOTRIAZOLE COMPOUND EASTMAN KODAK COMPANY 2001-01-09 US disclosed
EP-1048975-A1 1-sulfonyl-1H-benzotriazole compounds as print stabilizers in photothermographic elements EASTMAN KODAK COMPANY (US) 2000-11-02 EP disclosed