SCHEMBL8502986

SCHEMBL8502986

O=C(Cc1cncn1Cc1ccc([N+](=O)[O-])cc1)NC(CNCc1cccc2ccccc12)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.40
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
PGGT1B P53609 3/20 0.39
SIGMAR1 Q99720 3/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR3 P51677 1/20 0.36
EPHX1 P07099 1/20 0.35
DRD4 P21917 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
SCHEMBL8486501 0.84 POLB (0.42) MAPTPOLBFNTAFNTBPGGT1B
SCHEMBL8486503 0.84 POLB (0.42) MAPTPOLBFNTAFNTBPGGT1B
SCHEMBL8496877 0.83 POLB (0.41) MAPTPOLBFNTAFNTBPGGT1B
SCHEMBL8498504 0.83 POLB (0.41) MAPTPOLBFNTAFNTBPGGT1B
SCHEMBL8500425 0.83 POLB (0.41) MAPTPOLBFNTAFNTBPGGT1B
SCHEMBL8500431 0.83 POLB (0.41) MAPTPOLBFNTAFNTBPGGT1B
SCHEMBL8502143 0.81 POLB (0.39) MAPTTDP1POLBFNTAFNTB
SCHEMBL8343756 0.81 POLB (0.45) MAPTPOLBFNTAFNTBPGGT1B
SCHEMBL8481493 0.79 POLB (0.44) MAPTPOLBFNTAFNTBPGGT1B
SCHEMBL8495248 0.72 FNTA (0.40) MAPTPOLBFNTAFNTBPGGT1B

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