SCHEMBL8495248

SCHEMBL8495248

CCC(C)C(CNCc1cccc(Cl)c1Cl)NC(=O)Cc1cncn1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.40
FNTB P49356 6/20 0.40
PGGT1B P53609 2/20 0.40
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
AVPR1A P37288 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8495251 1.00 FNTA (0.40) FNTAFNTBPGGT1BNPBWR1MCHR1
SCHEMBL8500425 0.89 POLB (0.41) FNTAFNTBPGGT1BKMT2AL3MBTL1
SCHEMBL8500431 0.89 POLB (0.41) FNTAFNTBPGGT1BKMT2AL3MBTL1
SCHEMBL8387732 0.87 CYP11B1 (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8387731 0.87 CYP11B1 (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8491536 0.84 KMT2A (0.39) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL8491532 0.84 KMT2A (0.39) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL8343355 0.82 FNTA (0.39) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL8486503 0.82 POLB (0.42) FNTAFNTBPGGT1BKMT2AL3MBTL1
SCHEMBL8486501 0.82 POLB (0.42) FNTAFNTBPGGT1BKMT2AL3MBTL1

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