SCHEMBL6821793

SCHEMBL6821793

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CCCC1C.Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ALB P02768 2/20 0.42
GPR6 P46095 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 4/20 0.37
HSD11B1 P28845 2/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
PTPN7 P35236 1/20 0.35

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
SCHEMBL6821796 0.93 HTT (0.42) TSHRMAPK1HTTALBGPR6
SCHEMBL6833979 0.92 HTT (0.52) TSHRMAPK1HTTALBGPR6
SCHEMBL6830277 0.89 ALB (0.45) MAPK1HTTALBKMT2AMEN1
SCHEMBL6818779 0.85 ALB (0.51) TSHRMAPK1HTTALBGPR6
SCHEMBL6819583 0.83 ALB (0.53) TSHRMAPK1HTTALBKMT2A
SCHEMBL6830175 0.82 ALB (0.46) ALBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6817870 0.82 ALB (0.51) TSHRMAPK1HTTALBKMT2A
SCHEMBL6821690 0.82 ALB (0.49) TSHRMAPK1HTTALBKMT2A
SCHEMBL6932502 0.81 ALB (0.54) TSHRMAPK1ALBKMT2AMEN1
SCHEMBL6930797 0.81 ALB (0.53) TSHRMAPK1ALBKMT2AMEN1

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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed