SCHEMBL7846930

SCHEMBL7846930

Cn1cc(C(=S)NCc2ccc(Cl)cc2)c(=O)c2cc(I)ccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.41
KCNH2 Q12809 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7938457 0.88 MAPT (0.67) MAPTMEN1KMT2ARXFP1TP53
SCHEMBL6668328 0.82 MAPT (0.49) MAPTMEN1KMT2ARXFP1
SCHEMBL6694423 0.81 MEN1 (0.60) MAPTMEN1KMT2ATP53KCNH2
SCHEMBL6814897 0.76 MAPT (0.68) MAPTMEN1KMT2ARXFP1TP53
SCHEMBL7842626 0.76 MAPT (0.68) MAPTMEN1KMT2ARXFP1TP53
SCHEMBL7938895 0.76 MEN1 (0.52) MAPTMEN1KMT2A
SCHEMBL6813782 0.75 MEN1 (0.52) MAPTMEN1KMT2A
SCHEMBL13774353 0.74 ALDH1A1 (0.45) MAPTMEN1KMT2ARXFP1
SCHEMBL6695126 0.73 KMT2A (0.48) MAPTMEN1KMT2ARXFP1POLB
SCHEMBL7936274 0.73 MEN1 (0.56) MAPTMEN1KMT2A

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