SCHEMBL21444097

SCHEMBL21444097

N#Cc1ccc2c(c1)sc1cc(-c3cc(I)ccc3-n3c4ccccc4c4ccccc43)ccc12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.33
LIMK1 P53667 1/20 0.31

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
SCHEMBL18502362 0.92 G6PD (0.36) G6PDLIMK1
SCHEMBL18502335 0.89 ALDH1A1 (0.35) G6PDLIMK1
SCHEMBL18502379 0.88 G6PD (0.36) G6PDLIMK1
SCHEMBL18502372 0.85 G6PD (0.35) G6PDLIMK1
SCHEMBL18502290 0.85 G6PD (0.36) G6PDLIMK1
SCHEMBL18502321 0.84 G6PD (0.34) G6PDLIMK1
SCHEMBL19755444 0.83 ALOX5 (0.35) G6PDLIMK1
SCHEMBL18502314 0.82 G6PD (0.34) G6PD
SCHEMBL18502273 0.82 ALDH1A1 (0.35) G6PDLIMK1
SCHEMBL18502279 0.82 ALOX5 (0.34) G6PD

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-3130591-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-09 EP disclosed