SCHEMBL28037280

SCHEMBL28037280

NC(=O)c1ccn(-c2ccc(N)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 9/20 0.54
TUBB P07437 9/20 0.54
TUBA3C P0DPH7 9/20 0.54
TUBA1B P68363 9/20 0.54
TUBA4A P68366 9/20 0.54
TUBB4B P68371 9/20 0.54
TUBB3 Q13509 9/20 0.54
TUBB2A Q13885 9/20 0.54
TUBB8 Q3ZCM7 9/20 0.54
TUBA3E Q6PEY2 9/20 0.54
TUBA1A Q71U36 9/20 0.54
TUBA1C Q9BQE3 9/20 0.54
TUBB6 Q9BUF5 9/20 0.54
TUBB2B Q9BVA1 9/20 0.54
TUBB1 Q9H4B7 9/20 0.54
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL27933775 0.84 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31575859 0.84 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4159912 0.83 CA12 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL28139679 0.81 CA12 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27607720 0.81 CA12 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16416802 0.80 CA12 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4783768 0.80 CES2 (0.43) CA12CA1CA2CA9MAPT
SCHEMBL25855378 0.80 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27574585 0.80 MEN1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL28139647 0.79 CA12 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105164113-A Pyrroloamide inhibitors ABBVIE INC 2015-12-16 CN claimed
CN-105164113-A Pyrroloamide inhibitors ABBVIE INC 2015-12-16 CN disclosed