SCHEMBL4240634

SCHEMBL4240634

COC(=O)Oc1cc(C)c2nc(NC#N)[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33
TUBA1C Q9BQE3 2/20 0.33
TUBB6 Q9BUF5 2/20 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
SCHEMBL3960703 0.89 MEN1 (0.40) MAPTKMT2AMEN1DUSP3PTPN5
SCHEMBL4562585 0.81 MEN1 (0.38) MAPTKMT2AMEN1DUSP3PTPN5
SCHEMBL3963475 0.81 ALDH1A1 (0.40) ALDH1A1
SCHEMBL3960529 0.75 PARP1 (0.42) MAPTLMNA
SCHEMBL3962137 0.67 DHODH (0.43) SMN1; SMN2RAB9AALDH1A1
SCHEMBL1542153 0.67 MAPT (0.35) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL1542506 0.67 MAPT (0.37) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL11784591 0.65 CBFB (0.44) MAPTKMT2AMEN1DUSP3PTPN5
SCHEMBL9237989 0.63 KMT2A (0.42) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL13907796 0.63 KMT2A (0.40) MAPTKMT2AMEN1DUSP3PTPN5

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
WO-2009034029-A2 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-19 WO disclosed