SCHEMBL21101592

SCHEMBL21101592

Cc1ccc(-c2ccc3sc4c(c3c2)=C[C@H](C)CC=4)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.32
PIM3 Q86V86 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL21101503 0.70 ALDH1A1 (0.32)
SCHEMBL13839133 0.70 ESR1 (0.38) CLK1PIM3ROCK1
SCHEMBL23893249 0.68 LIMK1 (0.36) PIM3
SCHEMBL13752359 0.67 SMN1; SMN2 (0.38) CLK1ROCK1
SCHEMBL27431001 0.67 ESR1 (0.36) CLK1PIM3ROCK1
SCHEMBL18267843 0.67 ESR1 (0.36) CLK1PIM3ROCK1
SCHEMBL13979507 0.67 S1PR5 (0.35) PIM3ROCK1
SCHEMBL12131142 0.66 CYP1A2 (0.31)
SCHEMBL20961031 0.66 MAOB (0.33)
SCHEMBL20799807 0.65 IDO1 (0.33)

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
EP-2993215-B1 Azabenzimidazo[2,1-a]benzimidazoles for electronic applications IDEMITSU KOSAN CO (JP) 2019-06-19 EP disclosed