SCHEMBL7309919

SCHEMBL7309919

Cc1nc(C(=O)O)c2n1-c1ccc(Cl)cc1C(c1ccccc1)NC2C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.38
ATM Q13315 1/20 0.37
TRPM5 Q9NZQ8 3/20 0.37
TRPM4 Q8TD43 2/20 0.37
KMO O15229 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MYC P01106 1/20 0.34
NR4A1 P22736 1/20 0.34
MAPT P10636 2/20 0.34
PIN1 Q13526 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11184701 0.80 EDNRB (0.41) MDM2ATMTRPM5TRPM4KMO
SCHEMBL7309916 0.73 KMT2A (0.39) ATMTRPM5MEN1KMT2AHTT
SCHEMBL7317502 0.73 MEN1 (0.38) MDM2ATMTRPM5TRPM4MEN1
SCHEMBL7315680 0.71 PTAFR (0.47) MDM2MEN1KMT2A
SCHEMBL11287985 0.71 TRPM5 (0.42) ATMTRPM5TRPM4MEN1KMT2A
SCHEMBL11284457 0.71 TRPM5 (0.42) ATMTRPM5TRPM4MEN1KMT2A
SCHEMBL11281221 0.71 TRPM5 (0.42) ATMTRPM5TRPM4MEN1KMT2A
SCHEMBL7384311 0.70 OPRK1 (0.49) MDM2MEN1KMT2AMAPTPOLB
SCHEMBL7317722 0.68 MEN1 (0.39) ATMTRPM5MEN1KMT2AMAPT
SCHEMBL11434287 0.68 BRD4 (0.42) TRPM5TRPM4

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-4440685-A MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS HOFFMANN-LA ROCHE INC. (US) 1984-04-03 US claimed