SCHEMBL19061114

SCHEMBL19061114

CN1c2ccccc2SC1c1cc2ccccc2cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 7/20 0.36
▸ HPGD P15428 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ DAO P14920 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ BCHE P06276 2/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ GLA P06280 1/20 0.32

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
SCHEMBL11886351 0.85 MAOA (0.33) KDM4EALDH1A1HPGDSMN1; SMN2ALOX12
SCHEMBL17399090 0.83 MYLK (0.38) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL24136320 0.76 TTR (0.31) ALDH1A1
SCHEMBL14852919 0.75 MAOB (0.40) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL11886360 0.74 MAOA (0.37) KDM4EALDH1A1HPGDSMN1; SMN2HTR2C
SCHEMBL30986852 0.72 MAOA (0.41) KDM4EALDH1A1HPGDSMN1; SMN2MAOA
SCHEMBL12193903 0.72 MAOA (0.41) KDM4EALDH1A1HPGDSMN1; SMN2MAOA
SCHEMBL27645758 0.72 BCHE (0.39) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL19267117 0.71 KDM4E (0.44) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL15947423 0.70 SMN1; SMN2 (0.35) KDM4EALDH1A1HPGDSMN1; SMN2MAOA

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-3185332-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-06-28 — — EP disclosed
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