SCHEMBL21499409

SCHEMBL21499409

c1ccc2c(-c3cc4c5cc(-c6ccc7c(-c8ccc9cc(-c%10cn%11ccccc%11n%10)ccc9c8)cc8c9ccccc9c9ccccc9c8c7c6)ccc5c5ccccc5c4c4ccccc34)ccc(-c3cn4ccccc4n3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.46
▸ GFER P55789 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MIF P14174 1/20 0.46
▸ NPC1 O15118 12/20 0.44
▸ KDM4E B2RXH2 9/20 0.44
▸ ALDH1A1 P00352 9/20 0.44
▸ SMN1; SMN2 Q16637 8/20 0.44
▸ MAPT P10636 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ PKM P14618 5/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42

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
SCHEMBL9976929 0.90 RAB9A (0.54) RAB9AGFERMEN1KMT2AGAA
SCHEMBL9976927 0.85 RAB9A (0.53) RAB9AGFERMEN1KMT2AGAA
SCHEMBL9611922 0.82 CASP3 (0.53) RAB9AGFERMEN1KMT2AGAA
SCHEMBL9611921 0.82 RAB9A (0.58) RAB9AGFERMEN1KMT2AGAA
SCHEMBL21499408 0.80 ALDH1A3 (0.55) RAB9AGFERMEN1KMT2AGAA
SCHEMBL9611827 0.79 RAB9A (0.51) RAB9AGFERMEN1KMT2AGAA
SCHEMBL9976895 0.79 RAB9A (0.52) RAB9AGFERMEN1KMT2AGAA
SCHEMBL25112836 0.78 RAB9A (0.51) RAB9AGFERMEN1KMT2AGAA
SCHEMBL16303801 0.78 RAB9A (0.63) RAB9AGFERMEN1KMT2AGAA
SCHEMBL25112916 0.78 RAB9A (0.44) RAB9AGFERMEN1KMT2AGAA

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
US-RE47654-E1 Organic electroluminescence device IDEMITSU KOASN CO., LTD. (JP) 2019-10-22 — — US disclosed
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