SCHEMBL14686142

SCHEMBL14686142

O=C(CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Br)cc2)cc1)NCC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.43
ITGA2B P08514 10/20 0.43
TDP1 Q9NUW8 1/20 0.40
KDM1A O60341 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP1 P03956 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
Trifluoroacetic Acid SCHEMBL3054795 0.95 ITGB3 (0.43) ITGB3ITGA2BTDP1KDM1A
SCHEMBL14686173 0.93 ITGB3 (0.46) ITGB3ITGA2BTDP1KDM1AMEN1
SCHEMBL14686170 0.93 CACNA1H (0.45) ITGB3ITGA2BKDM1A
Hydrochloric Acid SCHEMBL3047701 0.93 ITGB3 (0.45) ITGB3ITGA2BTDP1KDM1AMEN1
Hydrochloric Acid SCHEMBL3043969 0.92 CACNA1H (0.45) ITGB3ITGA2BTDP1
SCHEMBL3046478 0.91 CCR2 (0.40) ITGB3ITGA2BMEN1KMT2A
Hydrochloric Acid SCHEMBL3050435 0.90 CACNA1H (0.48) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL3044002 0.89 CXCR3 (0.47) ITGB3ITGA2B
SCHEMBL14686192 0.88 PTGDR (0.40) ITGB3ITGA2BKDM1A
Hydrochloric Acid SCHEMBL3049059 0.88 PTGDR (0.40) ITGB3ITGA2BKDM1A

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
EP-2057116-B1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-02-13 EP claimed