SCHEMBL21026892

SCHEMBL21026892

CN(Cc1ccc(NC(=O)OCc2ccccc2)cn1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HTR2C P28335 2/20 0.45
SLC6A4 P31645 2/20 0.45
ROCK2 O75116 1/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
MAPKAPK2 P49137 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BACE1 P56817 2/20 0.42
RORC P51449 1/20 0.41
MGLL Q99685 1/20 0.41
SYK P43405 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL21026994 0.83 HTR2C (0.41) POLBHTR2CSLC6A4ROCK2TP53
SCHEMBL13174634 0.77 DGAT1 (0.39) POLBROCK2TP53MAPTMAPKAPK2
SCHEMBL21026796 0.77 POLB (0.54) POLBROCK2TP53MAPTMAPKAPK2
SCHEMBL16423708 0.77 POLB (0.57) POLBROCK2TP53MAPTMAPKAPK2
SCHEMBL7043026 0.76 POLB (0.62) POLBROCK2TP53MAPTSMN1; SMN2
SCHEMBL19054753 0.75 MAPKAPK2 (0.52) POLBROCK2TP53MAPTMAPKAPK2
SCHEMBL29186938 0.74 YAP1 (0.47) TP53MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30001224 0.74 YAP1 (0.47) TP53MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL381069 0.74 F13A1 (0.41) POLBROCK2MAPTSMN1; SMN2RORC
SCHEMBL1040107 0.74 POLB (0.59) POLBROCK2TP53MAPTSMN1; SMN2

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-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 EP disclosed