SCHEMBL6821796

SCHEMBL6821796

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)OC(=O)c2cc(C#N)ccc2NC(=O)c2cc(S(=O)(=O)N3CCCC3C)c(C)s2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
GPR6 P46095 3/20 0.40
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 6/20 0.37
RAB9A P51151 2/20 0.37
GLA P06280 1/20 0.37
HSD11B1 P28845 1/20 0.36
ALB P02768 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
CSF1R P07333 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6821793 0.93 TSHR (0.44) HTTTSHRMAPK1GPR6LMNA
SCHEMBL6833979 0.84 HTT (0.52) HTTTSHRMAPK1GPR6LMNA
SCHEMBL6830277 0.82 ALB (0.45) HTTMAPK1LMNASMN1; SMN2TP53
SCHEMBL6818779 0.78 ALB (0.51) HTTTSHRMAPK1GPR6LMNA
SCHEMBL6819583 0.77 ALB (0.53) HTTTSHRMAPK1LMNASMN1; SMN2
SCHEMBL6817806 0.76 CNR1 (0.43) TSHRMAPK1SMN1; SMN2TP53MAPT
SCHEMBL6830175 0.75 ALB (0.46) SMN1; SMN2TP53MAPTALBMEN1
SCHEMBL6821690 0.75 ALB (0.49) HTTTSHRMAPK1MAPTRAB9A
SCHEMBL6834003 0.75 ALB (0.42) ALB
SCHEMBL6817870 0.74 ALB (0.51) HTTTSHRMAPK1LMNASMN1; SMN2

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