SCHEMBL4035502

SCHEMBL4035502

NC(=O)Oc1[nH]c2cccnc2c1Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.39
TUBB P07437 4/20 0.39
TUBA3C P0DPH7 4/20 0.39
TUBA1B P68363 4/20 0.39
TUBA4A P68366 4/20 0.39
TUBB4B P68371 4/20 0.39
TUBB3 Q13509 4/20 0.39
TUBB2A Q13885 4/20 0.39
TUBB8 Q3ZCM7 4/20 0.39
TUBA3E Q6PEY2 4/20 0.39
TUBA1A Q71U36 4/20 0.39
TUBA1C Q9BQE3 4/20 0.39
TUBB6 Q9BUF5 4/20 0.39
TUBB2B Q9BVA1 4/20 0.39
TUBB1 Q9H4B7 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PARP1 P09874 4/20 0.37
PDE5A O76074 1/20 0.36
SLC6A4 P31645 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
SCHEMBL4033192 0.91 PKN1 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4035489 0.89 SLC6A4 (0.43) MEN1KMT2APARP1SLC6A4PTGDR2
SCHEMBL4032967 0.89 SMN1; SMN2 (0.41) MEN1KMT2APDE5ASLC6A4PTGDR2
SCHEMBL4036370 0.87 PARP1 (0.37) MEN1KMT2APARP1PDE5AJAK2
SCHEMBL4033284 0.86 PTGS1 (0.37) PARP1PDE5AJAK2LMNAALDH1A1
SCHEMBL4036827 0.86 KDM4E (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4043268 0.86 PKN1 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4033058 0.86 TYMS (0.37) MEN1KMT2AJAK2ALDH1A1
SCHEMBL4035517 0.86 TYMS (0.37) JAK2LMNAALDH1A1
SCHEMBL4034008 0.86 LMNA (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-1747220-B1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2009-04-15 EP claimed