SCHEMBL30854952

SCHEMBL30854952

COc1cccc(CN(c2ccc(N3CCOCC3)cc2)c2cccc(OCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ EPHB4 P54760 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 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
SCHEMBL30854963 0.92 FGFR1 (0.44) MAPTLMNAPKMMAPK1TDP1
SCHEMBL29194455 0.92 FGFR1 (0.44) MAPTLMNAPKMMAPK1TDP1
SCHEMBL30245088 0.89 MAPT (0.44) MAPTLMNAPKMMAPK1TDP1
SCHEMBL30245914 0.89 MAPT (0.43) MAPTLMNAPKMMAPK1TDP1
SCHEMBL30854973 0.87 KDM4E (0.47) MAPTALDH1A1FGFR1KDREPHB4
SCHEMBL30245173 0.86 MAPT (0.41) MAPTLMNAPKMMAPK1TDP1
SCHEMBL30245060 0.84 PRKDC (0.41) MAPTLMNAPKMMAPK1TDP1
SCHEMBL30855004 0.83 KDM4E (0.48) MAPTALDH1A1FGFR1KDREPHB4
SCHEMBL30854950 0.82 KDM4E (0.43) MAPTALDH1A1SMN1; SMN2TSHRFGFR1
SCHEMBL25426334 0.82 ALDH1A1 (0.46) MAPTLMNAPKMMAPK1TDP1

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
Send feedback