SCHEMBL8562610

SCHEMBL8562610

NS(=O)(=O)c1ccccc1Cc1nc2ncccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPK1 P28482 1/20 0.41
CA9 Q16790 1/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
BACE1 P56817 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE5A O76074 2/20 0.40
DRD4 P21917 2/20 0.40
METAP1 P53582 2/20 0.40
METAP2 P50579 1/20 0.40
TPH1 P17752 1/20 0.39
TPH2 Q8IWU9 1/20 0.39
CYP2C9 P11712 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
SCHEMBL9504728 0.81 GAA (0.53) HSD17B10LMNAGAAMAPTPKM
SCHEMBL7002580 0.77 NUDT1 (0.58) NUDT1TP53NPC1ALDH1A1HPGD
SCHEMBL8806229 0.73 GAA (0.60) NUDT1TP53NPC1HPGDRAB9A
SCHEMBL6994149 0.72 GAA (0.58) NUDT1MAPK1TP53NPC1RAB9A
SCHEMBL516619 0.71 NUDT1 (0.56) NUDT1CA1CA2MAPK1CA9
SCHEMBL3967813 0.71 NUDT1 (0.55) NUDT1TP53NPC1HPGDRAB9A
SCHEMBL4773954 0.71 NUDT1 (0.59) NUDT1TP53NPC1ALDH1A1HPGD
SCHEMBL4060561 0.71 NUDT1 (0.51) NUDT1TP53ALDH1A1HPGDPDE5A
SCHEMBL31234480 0.70 CA2 (0.47) CA1CA2MAPK1CA9CYP2C9
SCHEMBL1873885 0.70 CA2 (0.47) CA1CA2MAPK1CA9CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543861-B1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIOTECH PHARM (GB) 1998-10-14 EP disclosed
US-5276153-A Antagonist of platelet activating factor for bronchodilation BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-01-04 US disclosed
US-5180723-A Hypertensives, bronchodilators, antiedemic agents BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-01-19 US disclosed
WO-1992003422-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed