SCHEMBL21779872

SCHEMBL21779872

Cc1cc(C)cc(NC(=O)NC2CNC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX1 P07099 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TP53 P04637 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
SCHEMBL11431700 0.84 RAB9A (0.60) NPC1RAB9AMEN1KMT2AEPHX1
SCHEMBL2753005 0.81 RAB9A (0.70) NPC1RAB9AMEN1KMT2AEPHX1
SCHEMBL24342377 0.76 EPHX2 (0.65) RAB9AKMT2AEPHX1GAATP53
SCHEMBL27923493 0.75 MEN1 (0.73) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL21779850 0.75 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2AEPHX1
SCHEMBL26087834 0.72 LMNA (0.55) RAB9AMEN1KMT2ANPSR1LMNA
SCHEMBL10211642 0.72 NPC1 (0.51) NPC1RAB9AEPHX1NPSR1LMNA
SCHEMBL13756245 0.70 MEN1 (0.85) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL15695581 0.70 MEN1 (0.60) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL17410626 0.69 NPC1 (0.86) NPC1RAB9AMEN1KMT2AEPHX1

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
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed