SCHEMBL29194455

SCHEMBL29194455

COc1cccc(CN(c2ccc(N3CCOCC3)cc2)c2ccnc(OCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ EPHB4 P54760 2/20 0.44
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ CASP1 P29466 4/20 0.37
▸ CASP7 P55210 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37

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
SCHEMBL30854963 1.00 FGFR1 (0.44) FGFR1KDREPHB4MAPTMAPK1
SCHEMBL30854952 0.92 MAPT (0.44) FGFR1KDREPHB4MAPTMAPK1
SCHEMBL30245782 0.91 FGFR1 (0.44) FGFR1KDREPHB4MAPTMAPK1
SCHEMBL30245289 0.82 MAPT (0.44) FGFR1KDREPHB4MAPTMAPK1
SCHEMBL30245088 0.82 MAPT (0.44) FGFR1KDREPHB4MAPTMAPK1
SCHEMBL30245914 0.82 MAPT (0.43) FGFR1KDREPHB4MAPTMAPK1
SCHEMBL25295796 0.81 QPCT (0.39) FGFR1KDREPHB4MAPTKDM4E
SCHEMBL30245196 0.81 QPCT (0.39) FGFR1KDREPHB4MAPTKDM4E
SCHEMBL30245488 0.80 QPCT (0.47) MAPK1POLBHPGD
SCHEMBL30854973 0.80 KDM4E (0.47) FGFR1KDREPHB4MAPTHSP90AA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN disclosed
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