SCHEMBL7941013

SCHEMBL7941013

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

nearest known ligand 0.55

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
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
KCNH2 Q12809 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL7937693 0.88 MEN1 (0.41) MAPTMEN1KMT2AKCNH2RXFP1
SCHEMBL6698829 0.83 MAPT (0.58) MAPTMEN1KMT2ATP53POLB
SCHEMBL6699427 0.81 MAPT (0.60) MAPTMEN1KMT2ATP53POLB
SCHEMBL7941009 0.80 MAPT (0.55) MAPTMEN1KMT2ATP53POLB
SCHEMBL7842626 0.76 MAPT (0.68) MAPTMEN1KMT2ATP53POLB
SCHEMBL6814897 0.76 MAPT (0.68) MAPTMEN1KMT2ATP53POLB
SCHEMBL6699753 0.76 MAPT (0.54) MAPTMEN1KMT2ATP53POLB
SCHEMBL7938457 0.76 MAPT (0.67) MAPTMEN1KMT2ATP53POLB
SCHEMBL6694734 0.73 MAPT (0.64) MAPTMEN1KMT2ATP53POLB
SCHEMBL6672864 0.73 MAPT (0.64) MAPTMEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed