SCHEMBL29328207

SCHEMBL29328207

COC(=O)c1ccc(C2CCN(C)CCN2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
ATM Q13315 2/20 0.45
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHKA P35790 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
Hydrochloric Acid SCHEMBL31056797 0.99 MEN1 (0.44) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL13741356 0.81 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL29326268 0.81 CA12 (0.43) MEN1KMT2AALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL31056912 0.80 CA12 (0.43) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL29326648 0.80 KDM4E (0.44) ALDH1A1HSD17B10HPGDKDM4ETSHR
SCHEMBL17782257 0.80 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL3529098 0.80 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL63894 0.80 HDAC3 (0.54) MEN1KMT2AALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL31056876 0.79 KDM4E (0.43) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL24835240 0.79 HSD17B10 (0.49) MEN1KMT2AALDH1A1HSD17B10HPGD

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