SCHEMBL8495255

SCHEMBL8495255

CC(CCN)C(CNCc1cccc(Cl)c1Cl)C(=O)Cc1cncn1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.40
FNTB P49356 6/20 0.40
PGGT1B P53609 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ACE2 Q9BYF1 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
ACE P12821 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
SCHEMBL8495248 0.81 FNTA (0.40) FNTAFNTBPGGT1BSMN1; SMN2POLB
SCHEMBL8495251 0.81 FNTA (0.40) FNTAFNTBPGGT1BSMN1; SMN2POLB
SCHEMBL8495258 0.79 FNTA (0.38) FNTAFNTBPGGT1BSMN1; SMN2POLB
SCHEMBL7082546 0.76 FNTA (0.44) FNTAFNTBPGGT1BSMN1; SMN2POLB
SCHEMBL8486503 0.71 POLB (0.42) FNTAFNTBPGGT1BPOLBMAPT
SCHEMBL8486501 0.71 POLB (0.42) FNTAFNTBPGGT1BPOLBMAPT
SCHEMBL8500425 0.71 POLB (0.41) FNTAFNTBPGGT1BPOLBMAPT
SCHEMBL8500431 0.71 POLB (0.41) FNTAFNTBPGGT1BPOLBMAPT
SCHEMBL8494694 0.70 CYP11B1 (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8498084 0.70 CYP11B1 (0.49) FNTAFNTBPGGT1BCYP11B1CYP11B2

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