SCHEMBL9744009

SCHEMBL9744009

CCc1nc(S)nc(O)c1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
DHFR P00374 3/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
GCGR P47871 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PRNP P04156 1/20 0.36
TP53 P04637 1/20 0.35
PABPC1 P11940 1/20 0.35
KDM4C Q9H3R0 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
SCHEMBL9741308 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KMT2AHPGDGAA
SCHEMBL10701445 0.77
SCHEMBL9742395 0.73 LMNA (0.36) KMT2AMEN1TSHRDHFRL3MBTL1
SCHEMBL11785657 0.72 ADORA3 (0.44) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL9621603 0.71 TP53 (0.41) SMN1; SMN2ALDH1A1HPGDKDM4EGCGR
SCHEMBL5483849 0.71 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KMT2AHPGDGAA
SCHEMBL17272795 0.70 LTB4R (0.39) ALDH1A1KMT2AHPGDGAAMEN1
SCHEMBL5474022 0.70 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KMT2AHPGDGAA
Bicarbonate SCHEMBL11028140 0.69 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AHPGDGAA
SCHEMBL4990413 0.68 GCGR (0.41) ALDH1A1KDM4ECYP3A4GCGRTP53

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-1992006965-A1 HERBICIDAL SULFONYLUREA DERIVATIVES ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1992-04-30 WO disclosed