SCHEMBL4077703

SCHEMBL4077703

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.45
SERPINE1 P05121 1/20 0.43
BRD4 O60885 1/20 0.42
UQCRB P14927 2/20 0.41
ALDH1A1 P00352 4/20 0.41
GPR35 Q9HC97 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR6 P50406 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL3957017 0.89 SERPINE1 (0.54) PTPN5SERPINE1BRD4UQCRBALDH1A1
SCHEMBL4931052 0.87 BRD4 (0.52) PTPN5SERPINE1BRD4UQCRBALDH1A1
SCHEMBL4077705 0.87 PTPN5 (0.41) PTPN5SERPINE1BRD4UQCRBALDH1A1
SCHEMBL4077968 0.85 SERPINE1 (0.45) SERPINE1GPR35MAPTHDAC3HDAC11
SCHEMBL4072961 0.85 PTPN5 (0.45) PTPN5SERPINE1BRD4UQCRBALDH1A1
SCHEMBL4069878 0.85 PTPN5 (0.45) PTPN5SERPINE1BRD4UQCRBALDH1A1
SCHEMBL4139174 0.84 ALDH1A1 (0.36) PTPN5SERPINE1BRD4UQCRBALDH1A1
SCHEMBL4139170 0.84 ALDH1A1 (0.36) PTPN5SERPINE1BRD4UQCRBALDH1A1
SCHEMBL13910226 0.82 SERPINE1 (0.51) PTPN5SERPINE1BRD4UQCRBALDH1A1
SCHEMBL4142121 0.81 MAP2 (0.54) PTPN5SERPINE1BRD4UQCRBALDH1A1

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