SCHEMBL23802420

SCHEMBL23802420

CCCCCC/C(=N\OC)C(=O)c1ccc2c(c1)c1cc(C(=O)c3ccccc3OS(=O)(=O)c3ccccc3)ccc1n2CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
RORC P51449 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
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

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
SCHEMBL23802421 0.92 CNR2 (0.38) CNR2RORCSMN1; SMN2NPC1RAB9A
SCHEMBL25515547 0.92 CNR2 (0.40) CNR2RORCSMN1; SMN2NPC1RAB9A
SCHEMBL25515550 0.87 CNR2 (0.44) CNR2RORCTUBB4ATUBBTUBA3C
SCHEMBL25517384 0.81 CNR2 (0.38) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL23802460 0.80 CNR2 (0.42) CNR2NPC1PSEN1PSEN2APH1B
SCHEMBL25515538 0.79 CNR2 (0.38) CNR2RORCNPC1TUBB4ATUBB
SCHEMBL23802054 0.78 CNR2 (0.44) CNR2SMN1; SMN2RAB9ATUBB4ATUBB
SCHEMBL16556361 0.77 CNR2 (0.44) CNR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL11960281 0.76 CNR2 (0.41) CNR2SMN1; SMN2NPC1MAPTCNR1
SCHEMBL17070006 0.76 CNR2 (0.41) CNR2SMN1; SMN2NPC1MAPTCNR1

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-2021175855-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2021-09-10 WO disclosed