SCHEMBL30855004

SCHEMBL30855004

COc1cccc(CN(c2ccc(CN(C)C)cc2)c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ CALM1 P0DP23 1/20 0.44
▸ CAMKK2 Q96RR4 1/20 0.44
▸ ATM Q13315 2/20 0.43
▸ AOC3 Q16853 2/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ FGFR1 P11362 1/20 0.41

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
SCHEMBL30854973 0.94 KDM4E (0.47) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL30854950 0.94 KDM4E (0.43) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL30245327 0.92 MAPT (0.49) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL30245029 0.89 KDM4E (0.46) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL30244963 0.88 KDM4E (0.46) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL30854969 0.88 KDM4E (0.45) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL29194839 0.86 KDM4E (0.51) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL30854952 0.83 MAPT (0.44) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL25301232 0.83 CNR1 (0.45) MAPTALDH1A1MEN1CASP1KMT2A
SCHEMBL30439031 0.83 MAPT (0.53) KDM4EMAPTPOLBHSP90AA1HSP90AB1

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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