SCHEMBL7843664

SCHEMBL7843664

CCCCOC(=O)CC(=O)c1cc(I)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR1 P03372 3/20 0.42
CNR1 P21554 1/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.39
ERCC5 P28715 2/20 0.39
FEN1 P39748 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9745314 0.78 HTT (0.58) L3MBTL1TDP1ALDH1A1HPGDNPC1
SCHEMBL7127425 0.75 TDP1 (0.47) TDP1ALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL7834315 0.73 ESR1 (0.37) L3MBTL1TDP1ALDH1A1HPGDNPC1
SCHEMBL7834312 0.73 ESR1 (0.37) L3MBTL1TDP1ALDH1A1HPGDNPC1
SCHEMBL7929591 0.73 HPGD (0.36) L3MBTL1TDP1ALDH1A1HPGDNPC1
SCHEMBL7929589 0.73 HPGD (0.36) L3MBTL1TDP1ALDH1A1HPGDNPC1
SCHEMBL4628086 0.73 TSHR (0.65) L3MBTL1TDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL11666101 0.73 ALDH1A1 (0.40) L3MBTL1TDP1ALDH1A1HPGDNPC1
SCHEMBL8172213 0.72 ALDH1A1 (0.53) L3MBTL1TDP1ALDH1A1HPGDNPC1
SCHEMBL5775638 0.72 ERCC5 (0.58) TDP1ALDH1A1HPGDSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed