SCHEMBL7537261

SCHEMBL7537261

CCCCS(=O)(=O)Nc1ccsc1C(=O)Nc1ccc(Cl)cc1.CCCCS(=O)(=O)Nc1ccsc1C(=O)Nc1ccc(OC)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.47
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
KDR P35968 2/20 0.46
FLT1 P17948 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 6/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 3/20 0.45
POLB P06746 2/20 0.45
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7537410 0.96 MAPT (0.47) MAPTSMN1; SMN2TP53KDRFLT1
SCHEMBL7532056 0.81 SMN1; SMN2 (0.47) MAPTSMN1; SMN2TP53KDRFLT1
SCHEMBL7533716 0.81 KDR (0.45) F10MAPTSMN1; SMN2KDRMEN1
SCHEMBL7534225 0.81 HTT (0.53) MAPTSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7537216 0.78 ALDH1A1 (0.58) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL7531353 0.78 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL7531734 0.77 DHODH (0.49) MAPTSMN1; SMN2LMNAPOLBHTT
3-Chloroaniline SCHEMBL7533700 0.76 CYP1A2 (0.48) MAPTSMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7533699 0.76 SMN1; SMN2 (0.54) MAPTSMN1; SMN2TP53KDRFLT1
SCHEMBL7533037 0.75 HTT (0.55) MAPTSMN1; SMN2MEN1KMT2ACYP1A2

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-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO disclosed