SCHEMBL8583255

SCHEMBL8583255

CCCC1=Cc2ccccc2C(=O)[N]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
PTPN1 P18031 1/20 0.34
DRD3 P35462 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
IDO1 P14902 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SOAT1 P35610 1/20 0.32
MAPT P10636 2/20 0.32
ACHE P22303 1/20 0.32
ELANE P08246 1/20 0.31
APAF1 O14727 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5604157 0.74 KDM4E (0.33) ELANEALDH1A1
SCHEMBL18456446 0.69 CDC25B (0.46) CDC25ACDC25BPTPN1DRD3NR1H2
SCHEMBL27942011 0.68 CDC25B (0.49) CDC25ACDC25BPTPN1DRD3NR1H2
SCHEMBL10607496 0.67 PTPN1 (0.41) CDC25ACDC25BPTPN1DRD3NR1H2
SCHEMBL9385170 0.67 NOS2 (0.33) ALDH1A1
SCHEMBL2785045 0.64 TLR8 (0.33) IDO1
SCHEMBL5602057 0.63 KCNH2 (0.39) PTPN1NR1H2NR1H3ALDH1A1
SCHEMBL27744901 0.63 PTPN1 (0.53) CDC25ACDC25BPTPN1NR1H2NR1H3
SCHEMBL5531153 0.63 ELANE (0.41) NR1H2NR1H3ELANEALDH1A1
SCHEMBL2872377 0.63 CNR1 (0.35) CDC25ACDC25BPTPN1DRD3

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
US-5741794-A PLATELET ACTIVATING FACTOR BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-04-21 US disclosed
EP-0620813-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-10-26 EP disclosed
WO-1993014069-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF AND ANGIOTENSIN II BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-07-22 WO disclosed