SCHEMBL4397313

SCHEMBL4397313

CCOC(=O)Oc1[nH]c2ncc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.47
KIT P10721 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
MAPT P10636 5/20 0.43
TP53 P04637 4/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN5 P54829 1/20 0.41
ERAP1 Q9NZ08 1/20 0.40
AR P10275 1/20 0.40
SYK P43405 1/20 0.40
USP2 O75604 1/20 0.40
USP8 P40818 1/20 0.40
SERPINE1 P05121 1/20 0.40
POLB P06746 1/20 0.40
ACLY P53396 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL4392130 0.93 SERPINE1 (0.47) HIF1AEDNRAMAPTTP53THRB
SCHEMBL4078804 0.92 MAPT (0.47) HIF1AMAPTTP53THRBSMN1; SMN2
SCHEMBL4080084 0.90 SERPINE1 (0.49) HIF1AKITMAPTTP53THRB
SCHEMBL4072264 0.89 EDNRB (0.46) HIF1AKITEDNRBEDNRAMAPT
SCHEMBL4133133 0.87 HIF1A (0.53) HIF1AKITEDNRBEDNRAMAPT
SCHEMBL4067709 0.82 SERPINE1 (0.49) HIF1AMAPTSMN1; SMN2PTPN5SERPINE1
SCHEMBL3940645 0.81 BRD4 (0.53) HIF1AMAPTTP53THRBSMN1; SMN2
SCHEMBL4072263 0.81 ACLY (0.48) KITEDNRBEDNRAMAPTPTPN2
SCHEMBL4073082 0.80 SERPINE1 (0.48) HIF1AEDNRAMAPTSMN1; SMN2PTPN5
SCHEMBL4070333 0.80 FABP1 (0.45) SERPINE1POLBACLY

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-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed