SCHEMBL8498192

SCHEMBL8498192

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.37
FNTB P49356 5/20 0.37
PGGT1B P53609 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
TDP1 Q9NUW8 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 0.96 FNTA (0.37) FNTAFNTBPGGT1BALDH1A1KMT2A
SCHEMBL8492986 0.94 FNTA (0.39) FNTAFNTBPGGT1BALDH1A1KMT2A
SCHEMBL8502085 0.94 FNTA (0.36) FNTAFNTBPGGT1BALDH1A1KMT2A
SCHEMBL8488756 0.92 MMP1 (0.42) FNTAFNTBPGGT1BALDH1A1KMT2A
SCHEMBL8483925 0.91 FNTA (0.35) FNTAFNTBPGGT1BALDH1A1KMT2A
SCHEMBL8484550 0.89 FNTA (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8632494 0.89 MEN1 (0.41) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL8632499 0.89 MEN1 (0.41) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL8493032 0.89 FNTA (0.35) FNTAFNTBPGGT1BALDH1A1KMT2A
SCHEMBL8500929 0.88 FNTA (0.35) FNTAFNTBPGGT1BALDH1A1KMT2A

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