SCHEMBL8492986

SCHEMBL8492986

CC[C@H](C)[C@@H](CN(Cc1cccc(Cl)c1Cl)C(=S)Nc1ccc(OC)cc1)NC(=O)Cc1cncn1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
PGGT1B P53609 2/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.33
NR3C1 P04150 1/20 0.33
GAA P10253 1/20 0.33
NPFFR1 Q9GZQ6 1/20 0.32

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
SCHEMBL8502192 0.94 FNTA (0.37) FNTAFNTBPGGT1BALDH1A1MAPT
SCHEMBL8498192 0.94 FNTA (0.37) FNTAFNTBPGGT1BALDH1A1MAPT
SCHEMBL8488756 0.91 MMP1 (0.42) FNTAFNTBPGGT1BALDH1A1MAPT
SCHEMBL8485632 0.90 ALDH1A1 (0.42) FNTAFNTBPGGT1BALDH1A1MAPT
SCHEMBL8502085 0.90 FNTA (0.36) FNTAFNTBPGGT1BALDH1A1MAPT
SCHEMBL8632868 0.90 CYP11B1 (0.41) FNTAFNTBPGGT1BSMN1; SMN2CYP11B1
SCHEMBL8632867 0.90 CYP11B1 (0.41) FNTAFNTBPGGT1BSMN1; SMN2CYP11B1
Hydrochloric Acid SCHEMBL8635400 0.89 CYP11B1 (0.40) FNTAFNTBPGGT1BSMN1; SMN2CYP11B1
SCHEMBL8483925 0.88 FNTA (0.35) FNTAFNTBPGGT1BALDH1A1MAPT
SCHEMBL8632494 0.88 MEN1 (0.41) FNTAFNTBPGGT1BMAPTSMN1; 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-1999012912-A1 THIOUREA DERIVATIVES OR NON-TOXIC SALTS THEREOF FOR INHIBITNG RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 1999-03-18 WO disclosed