SCHEMBL29326648

SCHEMBL29326648

COC(=O)c1ccc(C2CCN(C)CCN2)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
GAA P10253 5/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
GLA P06280 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
ABL1 P00519 1/20 0.43
CFTR P13569 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
Hydrochloric Acid SCHEMBL31056876 0.99 KDM4E (0.43) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL29326268 0.87 CA12 (0.43) KDM4EALDH1A1GAASMN1; SMN2HTR6
Hydrochloric Acid SCHEMBL31056912 0.86 CA12 (0.43) KDM4EALDH1A1GAASMN1; SMN2HTR6
SCHEMBL29328207 0.80 MEN1 (0.45) KDM4EALDH1A1GAAHPGDHSD17B10
Hydrochloric Acid SCHEMBL31056797 0.79 MEN1 (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL29321284 0.78 ALDH1A1 (0.48) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL24792464 0.74 KDM4E (0.58) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL30280751 0.72 ALDH1A1 (0.55) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL26800328 0.71 KDM4E (0.54) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL12466618 0.70 QDPR (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2

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
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed