SCHEMBL8486501

SCHEMBL8486501

CC(C)C(CNCc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
PGGT1B P53609 2/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.38
CCR3 P51677 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MAPK1 P28482 1/20 0.36
PNKP Q96T60 1/20 0.35

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
SCHEMBL8486503 1.00 POLB (0.42) POLBFNTAFNTBPGGT1BMEN1
SCHEMBL8500425 0.93 POLB (0.41) POLBFNTAFNTBPGGT1BMEN1
SCHEMBL8500431 0.93 POLB (0.41) POLBFNTAFNTBPGGT1BMEN1
SCHEMBL8498504 0.88 POLB (0.41) POLBFNTAFNTBPGGT1BMEN1
SCHEMBL8496877 0.88 POLB (0.41) POLBFNTAFNTBPGGT1BMEN1
SCHEMBL8502986 0.84 MAPT (0.40) POLBFNTAFNTBPGGT1BMEN1
SCHEMBL8343756 0.84 POLB (0.45) POLBFNTAFNTBPGGT1BMEN1
SCHEMBL8481493 0.83 POLB (0.44) POLBFNTAFNTBPGGT1BMEN1
SCHEMBL8495248 0.82 FNTA (0.40) POLBFNTAFNTBPGGT1BMEN1
SCHEMBL8495251 0.82 FNTA (0.40) POLBFNTAFNTBPGGT1BMEN1

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