SCHEMBL4069882

SCHEMBL4069882

CC(C)(C)c1ccc(S(=O)(=O)Nc2cnc3[nH]c(OC(=O)O)c(-c4cccs4)c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
UQCRB P14927 2/20 0.41
PTPN5 P54829 1/20 0.41
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IKBKB O14920 1/20 0.39
SERPINE1 P05121 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4069878 0.87 PTPN5 (0.45) BRD4UQCRBPTPN5ALDH1A1POLB
SCHEMBL4067709 0.87 SERPINE1 (0.49) BRD4UQCRBPTPN5ALDH1A1POLB
SCHEMBL4071556 0.87 SERPINE1 (0.42) SERPINE1MAPT
SCHEMBL4077705 0.85 PTPN5 (0.41) BRD4UQCRBPTPN5ALDH1A1POLB
SCHEMBL4072965 0.82 PTPN5 (0.41) BRD4UQCRBPTPN5ALDH1A1POLB
SCHEMBL4073082 0.80 SERPINE1 (0.48) BRD4UQCRBPTPN5ALDH1A1POLB
SCHEMBL4072264 0.80 EDNRB (0.46) PTPN5MEN1KMT2ANPSR1SERPINE1
SCHEMBL4072140 0.79 SERPINE1 (0.42) BRD4ALDH1A1POLBMEN1KMT2A
SCHEMBL4067259 0.78 SERPINE1 (0.46) BRD4UQCRBPTPN5ALDH1A1POLB
SCHEMBL4142667 0.77 BRD4 (0.37) BRD4UQCRBPTPN5ALDH1A1POLB

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