SCHEMBL24029340

SCHEMBL24029340

CCCC(=O)Nc1ncc(C)o1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 2/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 2/20 0.42
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 3/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL30071336 0.86 ALDH1A1 (0.48) KDM4EHPGDSMN1; SMN2MAPK1HTT
SCHEMBL12199271 0.77 CCNE2 (0.44) KDM4EHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL11542523 0.72 ALDH1A1 (0.44) KDM4EHPGDSMN1; SMN2GAATP53
SCHEMBL11537754 0.71 ALDH1A1 (0.45) KDM4EHPGDSMN1; SMN2GAAMAPK1
SCHEMBL21782902 0.70 SMN1; SMN2 (0.59) KDM4EHPGDSMN1; SMN2GAATP53
SCHEMBL11536470 0.70 CYP2C19 (0.44) KDM4EHPGDSMN1; SMN2HTTTP53
SCHEMBL1850645 0.68 MAPT (0.56) SMN1; SMN2GAAMAPK1TP53RAB9A
SCHEMBL4112089 0.68 ALDH1A1 (0.68) SMN1; SMN2GAAHTTRAB9ANPC1
SCHEMBL5837409 0.67 SMN1; SMN2 (0.58) SMN1; SMN2GAAHTTTP53RAB9A
SCHEMBL1852828 0.67 RAB9A (0.64) KDM4ESMN1; SMN2GAAMAPK1TP53

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-2021231778-A1 CORONAVIRUS PROTEASE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-11-18 WO disclosed