SCHEMBL8495258

SCHEMBL8495258

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.38
FNTB P49356 8/20 0.38
PGGT1B P53609 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8495255 0.79 FNTA (0.40) FNTAFNTBPGGT1BSMN1; SMN2POLB
SCHEMBL8498192 0.77 FNTA (0.37) FNTAFNTBPGGT1BSMN1; SMN2POLB
SCHEMBL8495251 0.76 FNTA (0.40) FNTAFNTBPGGT1BSMN1; SMN2POLB
SCHEMBL8495248 0.76 FNTA (0.40) FNTAFNTBPGGT1BSMN1; SMN2POLB
SCHEMBL8502192 0.76 FNTA (0.37) FNTAFNTBPGGT1BSMN1; SMN2POLB
SCHEMBL8500926 0.76 FNTA (0.35) FNTAFNTBPGGT1BSMN1; SMN2POLB
SCHEMBL8343355 0.76 FNTA (0.39) FNTAFNTBPGGT1BSMN1; SMN2MAPT
SCHEMBL8500929 0.76 FNTA (0.35) FNTAFNTBPGGT1BSMN1; SMN2POLB
SCHEMBL8502085 0.76 FNTA (0.36) FNTAFNTBPGGT1BPOLBMAPT
SCHEMBL8488756 0.75 MMP1 (0.42) FNTAFNTBPGGT1BSMN1; SMN2MAPT

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