SCHEMBL29955940

SCHEMBL29955940

COc1ncc(B(O)O)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32

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
SCHEMBL3635036 1.00 ENPP2 (0.36) ENPP2CA2CA1HTTRECQL
SCHEMBL16734396 0.81 SLC13A5 (0.33) MAPTLPLLIPGPOLB
SCHEMBL24354976 0.81 ENPP2 (0.36) ENPP2CA2CA1MAPTCASP1
SCHEMBL20605929 0.81 PIK3CA (0.37) ENPP2CA2CA1MAPTCASP1
SCHEMBL18151379 0.80 LRRK2 (0.30)
SCHEMBL29956434 0.79 PIK3CA (0.38) ENPP2CA2CA1MAPTPIK3R1
SCHEMBL1811195 0.79 ENPP2 (0.40) ENPP2CA2CA1MAPTCASP1
SCHEMBL117586 0.79 PIK3CA (0.38) ENPP2CA2CA1MAPTPIK3R1
SCHEMBL29953456 0.79 ENPP2 (0.40) ENPP2CA2CA1MAPTCASP1
SCHEMBL30788168 0.79 MAPT (0.49) ENPP2CA2CA1MAPTCASP1

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
EP-4214199-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed