SCHEMBL22293552

SCHEMBL22293552

C1=C(c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2)c2ccccc2CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPR3 P46089 1/20 0.34
▸ CYP3A4 P08684 4/20 0.33
▸ CYP11B2 P19099 4/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ CYP17A1 P05093 2/20 0.32
▸ PTPN1 P18031 2/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HSP90AA1 P07900 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
SCHEMBL10071935 0.80 ALOX5 (0.41) ALOX5PTPN1
SCHEMBL15315665 0.77 GPR3 (0.58) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20650204 0.75 GPR3 (0.52) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL14211429 0.75 GPR3 (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20909242 0.74 ALDH1A1 (0.47) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20650566 0.74 ALDH1A1 (0.50) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL10001802 0.73 NQO2 (0.33) RAB9AMEN1KMT2APOLB
SCHEMBL27302918 0.73 ALDH1A1 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17944932 0.72 ALDH1A1 (0.49) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23428176 0.72 ALDH1A1 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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-3579292-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-08-05 — — EP disclosed
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