SCHEMBL24376918

SCHEMBL24376918

Nc1ccc(Nc2ccc3[nH]c(CN4CCCC4)nc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 1/20 0.49
MLLT1 Q03111 7/20 0.45
CACNA1G O43497 2/20 0.45
TERT O14746 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CACNA1B Q00975 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD4 P21917 2/20 0.41
DRD2 P14416 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
SCHEMBL2322387 0.86 HTT (0.62) HTTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL2325142 0.75 HTT (0.62) HTTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL4521824 0.75 HTT (0.62) HTTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL521863 0.74 KDM4E (0.79) HTTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL30293592 0.74 MLLT1 (0.67) HTTHPGDKDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL522411 0.73 KDM4E (0.58) HTTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL10952871 0.72 HTT (0.58) HTTHPGDKDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL521738 0.72 KDM4E (0.56) HTTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL29368802 0.71 HTT (0.97) HTTHPGDKDM4EALDH1A1HSD17B10
SCHEMBL12045417 0.71 HTT (0.97) HTTHPGDKDM4EALDH1A1HSD17B10

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
WO-2022086937-A9 HETEROBIFUNCTIONAL COMPOUNDS AS DEGRADERS OF ENL ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-02-02 WO disclosed
WO-2022086937-A1 HETEROBIFUNCTIONAL COMPOUNDS AS DEGRADERS OF ENL ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 WO disclosed