SCHEMBL4077705

SCHEMBL4077705

CC(C)(C)c1ccc(S(=O)(=O)Nc2cnc3[nH]c(OC(=O)O)c(-c4ccsc4)c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.41
BRD4 O60885 1/20 0.40
SERPINE1 P05121 1/20 0.40
UQCRB P14927 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR6 P50406 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL4067709 0.89 SERPINE1 (0.49) PTPN5BRD4SERPINE1UQCRBALDH1A1
SCHEMBL4077703 0.87 PTPN5 (0.45) PTPN5BRD4SERPINE1UQCRBALDH1A1
SCHEMBL4077970 0.86 SERPINE1 (0.42) SERPINE1MAPTHDAC3HDAC11HDAC8
SCHEMBL4072965 0.86 PTPN5 (0.41) PTPN5BRD4SERPINE1UQCRBALDH1A1
SCHEMBL4069882 0.85 BRD4 (0.42) PTPN5BRD4SERPINE1UQCRBALDH1A1
SCHEMBL4073082 0.82 SERPINE1 (0.48) PTPN5BRD4SERPINE1UQCRBALDH1A1
SCHEMBL4072264 0.80 EDNRB (0.46) PTPN5SERPINE1LMNAHIF1AMEN1
SCHEMBL4392130 0.80 SERPINE1 (0.47) PTPN5BRD4SERPINE1UQCRBALDH1A1
SCHEMBL4070333 0.80 FABP1 (0.45) SERPINE1UQCRBALDH1A1KDM4EPOLB
SCHEMBL4072140 0.79 SERPINE1 (0.42) BRD4SERPINE1ALDH1A1KDM4EMEN1

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