SCHEMBL29194839

SCHEMBL29194839

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.49
▸ HSP90AB1 P08238 1/20 0.49
▸ HSD17B10 Q99714 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ AOC3 Q16853 2/20 0.46
▸ ATM Q13315 2/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ KDR P35968 1/20 0.44

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
SCHEMBL29194759 0.91 AGXT (0.47) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL29194781 0.90 HRH3 (0.49) MAPTALDH1A1CASP1RAB9ADRD2
SCHEMBL29194692 0.89 DRD2 (0.51) KDM4EMAPTPOLBALDH1A1AOC3
SCHEMBL30855004 0.86 KDM4E (0.48) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL30245327 0.85 MAPT (0.49) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL30854973 0.85 KDM4E (0.47) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL30439031 0.82 MAPT (0.53) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL30245029 0.82 KDM4E (0.46) KDM4EMAPTPOLBHSP90AA1HSP90AB1
SCHEMBL30244906 0.81 SMN1; SMN2 (0.52) KDM4EMAPTPOLBHSD17B10ALDH1A1
SCHEMBL29336392 0.80 CALM1 (0.52) KDM4EMAPTHSD17B10ALDH1A1HPGD

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
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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