SCHEMBL29856192

SCHEMBL29856192

CCc1c(C(=O)c2ccc(O)cc2)c2ccncc2n1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.50
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ROCK2 O75116 9/20 0.41
SLC22A12 Q96S37 3/20 0.37

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
SCHEMBL29856443 0.86 CNR2 (0.41) KDM5AHDAC2HDAC6ROCK2
SCHEMBL29856214 0.86 KDM5A (0.40) KDM5ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29856177 0.83 KDM5A (0.49) KDM5ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29856242 0.83 SRD5A2 (0.46) KDM5AHDAC2HDAC6ROCK2MAPT
SCHEMBL29856217 0.79 TUBB4A (0.41) KDM5ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29856503 0.75 ADORA3 (0.44) ROCK2EYA3MAPTHTTCYP19A1
SCHEMBL29856230 0.71 ROCK2 (0.42) HDAC2HDAC6ROCK2SLC22A12MAPT
SCHEMBL29856340 0.71 ROCK2 (0.38) KDM5AHDAC2HDAC6ROCK2SLC22A12
SCHEMBL29856327 0.69 KDM5A (0.48) KDM5AROCK2SLC22A12EYA3
SCHEMBL16345008 0.69 ROCK2 (0.62) KDM5ATUBB4ATUBBTUBA3CTUBA1B

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
WO-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed