SCHEMBL28114840

SCHEMBL28114840

COc1ccc(COC=O)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
MBOAT4 Q96T53 1/20 0.39
SYK P43405 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38

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
SCHEMBL28088981 0.84 BRD4 (0.35) ALDH1A1KDM4E
SCHEMBL19432655 0.80 MBOAT4 (0.43) NAAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28129456 0.79 MBOAT4 (0.41) MBOAT4ALDH1A1MEN1KMT2ANPC1
SCHEMBL7282981 0.79 SYK (0.40) SYKAURKBINCENPALDH1A1CYP2A6
SCHEMBL3362831 0.79 ALDH1A1 (0.39) NAAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27936928 0.77 ESR1 (0.42) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28259334 0.77 ALDH1A1 (0.44) ALDH1A1CYP2A6MAPTMEN1KMT2A
SCHEMBL28088993 0.76 ACACA (0.41)
SCHEMBL13680822 0.76 CYP3A4 (0.38) NAAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17541075 0.76 CA12 (0.40) NAAATUBB4ATUBBTUBA3CTUBA1B

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
CN-104245698-B Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL CO.,LTD. (JP) 2016-11-30 CN disclosed