SCHEMBL23625848

SCHEMBL23625848

N#Cc1ccc(-c2ccc3c(c2)sc2ccccc23)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GPR3 P46089 1/20 0.39
▸ LIMK1 P53667 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ G6PD P11413 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ PRSS12 P56730 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL21692241 0.93 STS (0.40) STSALDH1A1MAPTHPGDRAB9A
SCHEMBL21691644 0.92 ALDH1A1 (0.37) STSALDH1A1MAPTHPGDRAB9A
SCHEMBL21692345 0.90 PRMT5 (0.39) STSALDH1A1MAPTHPGDRAB9A
SCHEMBL15315591 0.86 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21692405 0.86 STS (0.35) STSALDH1A1MAPTHPGDRAB9A
SCHEMBL21692603 0.86 ALOX5 (0.44) STSALDH1A1MAPTHPGDRAB9A
SCHEMBL21693001 0.85 STS (0.40) STSALDH1A1MAPTHPGDRAB9A
SCHEMBL23625530 0.85 STS (0.41) STSALDH1A1LIMK1PRMT5WDR77
SCHEMBL21691500 0.85 STS (0.40) STSALDH1A1HPGDGPR3ALOX5
SCHEMBL21693196 0.84 STS (0.39) STSGPR3ALOX5PRMT5WDR77

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-2021135516-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 — — WO disclosed
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