SCHEMBL8562983

SCHEMBL8562983

O=[N+]([O-])c1cnc2ccccc2c1S(=O)(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.48
POLB P06746 2/20 0.40
AR P10275 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 3/20 0.36
EGFR P00533 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CCR6 P51684 1/20 0.36

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
SCHEMBL8628610 0.82 POLB (0.38) PIN1POLBNPC1RAB9AMEN1
SCHEMBL8570216 0.81 TXNRD1 (0.48) PIN1POLBNPC1RAB9AMEN1
SCHEMBL8627624 0.80 MAPT (0.39) POLBNPC1RAB9ASMN1; SMN2HTT
SCHEMBL8563611 0.79 PIN1 (0.54) PIN1POLBNPC1RAB9AMEN1
SCHEMBL8564800 0.78 VCAM1 (0.53) POLBMEN1KMT2AATMCA9
SCHEMBL27641881 0.77 KMT2A (0.47) PIN1POLBARNPC1RAB9A
SCHEMBL8922116 0.77 MGMT (0.39) PIN1POLBNPC1RAB9AMEN1
SCHEMBL8565650 0.77 MGMT (0.50) PIN1POLBCA1CA2CA9
SCHEMBL8561585 0.77 PIN1 (0.41) PIN1POLBARNPC1RAB9A
SCHEMBL8562402 0.76 POLB (0.46) POLBNPC1RAB9AMEN1KMT2A

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