SCHEMBL28530451

SCHEMBL28530451

COc1cc(Cl)cc(OCc2cc(B(O)O)cs2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.43
MAPT P10636 2/20 0.38
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 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
SCHEMBL28521411 0.82 ENPP2 (0.51) ENPP2LMNAALDH1A1POLBNPSR1
SCHEMBL28524257 0.78 ENPP2 (0.46) ENPP2MAPTMEN1KMT2ACA1
SCHEMBL28908255 0.76 MRGPRX4 (0.41) ENPP2MAPTMEN1KMT2ANPC1
SCHEMBL28529096 0.74 NPC1 (0.42) ENPP2MAPTMEN1KMT2ACA2
SCHEMBL29954639 0.74 ENPP2 (0.32) ENPP2CA1CA2POLB
SCHEMBL28520513 0.74 CA1 (0.41) ENPP2MAPTCA1CA2NPC1
SCHEMBL28521420 0.72 ALDH1A1 (0.45) ENPP2MAPTMEN1KMT2ANPC1
SCHEMBL28512482 0.71 ENPP2 (0.42) ENPP2MAPT
SCHEMBL4859209 0.70 MEN1 (0.47) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL519259 0.70 ENPP2 (0.52) ENPP2TUBB4ATUBBTUBA3CTUBA1B

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-108602834-B Bruton's tyrosine kinase inhibitor 北京盛诺基医药科技股份有限公司 2021-01-08 CN disclosed