SCHEMBL8559976

SCHEMBL8559976

O=[N+]([O-])c1ccncc1S(=O)(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
ALDH1A1 P00352 3/20 0.44
PIN1 Q13526 2/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
CYP19A1 P11511 3/20 0.40
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP1A2 P05177 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
SCHEMBL8567922 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL8560152 0.77 CYP19A1 (0.60) ALDH1A1MAPTLMNAPKMCYP19A1
SCHEMBL8628904 0.77 CA12 (0.38) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL8566904 0.76 MGMT (0.44) ARPIN1KMT2AMEN1RAB9A
SCHEMBL8569165 0.76 CYP11B1 (0.54) ALDH1A1PIN1KMT2AMEN1RAB9A
SCHEMBL8566453 0.76 MEN1 (0.58) ARALDH1A1PIN1KMT2AMEN1
SCHEMBL27641881 0.76 KMT2A (0.47) ARALDH1A1PIN1KMT2AMEN1
SCHEMBL8562212 0.75 PIN1 (0.46) ARALDH1A1PIN1KMT2AMEN1
SCHEMBL8626740 0.75 TXNRD1 (0.39) ALDH1A1RAB9ANPC1MAPTLMNA
SCHEMBL8566147 0.74 KMT2A (0.53) ARALDH1A1PIN1KMT2AMEN1

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-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed