SCHEMBL7709647

SCHEMBL7709647

NC1CCN(c2ccc3c4c(cccc24)C(=O)N(O)C3=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
POLB P06746 3/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ERCC1 P07992 2/20 0.48
FEN1 P39748 2/20 0.48
ERCC4 Q92889 2/20 0.48
CYP1A2 P05177 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 11/20 0.47
MEN1 O00255 10/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
AVPR1A P37288 1/20 0.47
HTT P42858 6/20 0.46
LMNA P02545 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
USP2 O75604 3/20 0.46
TLR9 Q9NR96 2/20 0.46
ALDH1A1 P00352 4/20 0.46

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
SCHEMBL7709797 0.81 KMT2A (0.67) MAPTPOLBTSHRTDP1ERCC1
SCHEMBL7709624 0.80 POLB (0.40) MAPTPOLBTSHRTDP1ERCC1
SCHEMBL7712299 0.80 POLB (0.40) MAPTPOLBTSHRTDP1ERCC1
SCHEMBL7709609 0.80 KMT2A (0.69) MAPTPOLBTSHRTDP1ERCC1
SCHEMBL7703732 0.78 POLB (0.39) MAPTPOLBTSHRTDP1ERCC1
SCHEMBL7703733 0.78 POLB (0.39) MAPTPOLBTSHRTDP1ERCC1
SCHEMBL7709645 0.78 POLB (0.52) MAPTPOLBTSHRTDP1ERCC1
SCHEMBL7709644 0.76 BRD1 (0.60) MAPTPOLBTSHRTDP1ERCC1
SCHEMBL7712239 0.76 MEN1 (0.72) MAPTPOLBTSHRTDP1ERCC1
SCHEMBL30273729 0.76 KMT2A (0.50) MAPTPOLBTSHRTDP1ERCC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US claimed
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US claimed
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US disclosed