SCHEMBL7834320

SCHEMBL7834320

Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cccc(I)c21

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
KCNH2 Q12809 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
BRD4 O60885 1/20 0.49

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
SCHEMBL6802248 0.86 MAPT (0.52) MAPTKCNH2MEN1KMT2A
SCHEMBL6794815 0.86 MAPT (0.52) MAPTKCNH2MEN1KMT2A
SCHEMBL6810386 0.82 MAPT (0.49) MAPTKCNH2MEN1KMT2A
SCHEMBL7854710 0.82 MAPT (0.52) MAPTKCNH2MEN1KMT2A
SCHEMBL6669830 0.81 MAPT (0.49) MAPTKCNH2MEN1KMT2A
SCHEMBL6815120 0.80 MAPT (0.48) MAPTKCNH2MEN1KMT2A
SCHEMBL7938457 0.80 MAPT (0.67) MAPTKCNH2MEN1KMT2A
SCHEMBL6694213 0.79 MAPT (0.47) MAPTKCNH2MEN1KMT2A
SCHEMBL6789243 0.79 POLA1 (0.69) KCNH2MEN1KMT2A
SCHEMBL6669967 0.79 KCNH2 (0.66) KCNH2

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