SCHEMBL7845751

SCHEMBL7845751

COC(=O)c1ccc2ncc(C(=S)NCc3ccc(Cl)cc3)c(O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CNR1 P21554 2/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PAX8 Q06710 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.41
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
CREBBP Q92793 1/20 0.40
MMP13 P45452 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
SCHEMBL6198534 0.90 CNR1 (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL7843275 0.82 QPCT (0.39) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL6667972 0.81 TRPV1 (0.40) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL6225327 0.78 MMP13 (0.49) ALDH1A1CNR1POLBMMP13
SCHEMBL6198289 0.77 NR3C1 (0.48) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6669335 0.76 MEN1 (0.46) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6197287 0.76 SMN1; SMN2 (0.55) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6198849 0.76 EGLN1 (0.51) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL6202819 0.75 L3MBTL1 (0.46) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL6194761 0.74 POLA1 (0.54) MEN1KMT2ALMNAALDH1A1NPC1

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