SCHEMBL6930430

SCHEMBL6930430

O=S(=O)(Nc1nc(-c2cccnc2)ns1)c1c(Cl)cc(Cl)cc1Cl.O=[N+]([O-])c1ccc(Cl)c(-c2nsc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM1A O60341 4/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FSCN1 Q16658 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA5 P30532 2/20 0.39
CHRNA4 P43681 2/20 0.39
MAOA P21397 1/20 0.38
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
PDE5A O76074 2/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
BCR P11274 1/20 0.37
SRC P12931 1/20 0.37

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
SCHEMBL5830398 0.89 MEN1 (0.47) MAPTPOLBKDM1AMEN1KMT2A
SCHEMBL5832045 0.86 CYP19A1 (0.46) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL5831040 0.83 KMT2A (0.43) ALDH1A1KDM1AMEN1KMT2AFSCN1
SCHEMBL5831396 0.80 MEN1 (0.50) MAPTPOLBKDM1AMEN1KMT2A
SCHEMBL5831931 0.80 PFKFB3 (0.46) MAPTALDH1A1KDM1ARAB9AMEN1
SCHEMBL5831701 0.75 FSCN1 (0.44) MAPTPOLBALDH1A1KDM1AMEN1
SCHEMBL5831683 0.75 ADORA3 (0.52) POLBKDM1ARAB9AMEN1KMT2A
SCHEMBL5831167 0.74 KDM1A (0.47) MAPTPOLBALDH1A1KDM1ARAB9A
SCHEMBL2762529 0.74 KDM1A (0.57) MAPTPOLBKDM1AMEN1KMT2A
SCHEMBL5831263 0.72 FSCN1 (0.47) ALDH1A1KDM1AMEN1KMT2AFSCN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004113310-A1 USE OF AN INHIBITOR OF 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPOUNDS FOR PROMOTING WOUND HEALING BIOVITRUM AB (SE) 2004-12-29 WO disclosed