SCHEMBL30427482

SCHEMBL30427482

COC(=O)c1cc(C)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.60
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACHE P22303 1/20 0.45
SMPD3 Q9NY59 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN11 Q06124 1/20 0.44
SLC2A1 P11166 1/20 0.44
GPR119 Q8TDV5 3/20 0.44
KCNH2 Q12809 1/20 0.43
NR1H2 P55055 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL25864436 0.96 RBP4 (0.56) RBP4MEN1MAPTKMT2AALDH1A1
SCHEMBL27700149 0.88 RBP4 (0.57) RBP4MEN1MAPTKMT2AALDH1A1
SCHEMBL18087219 0.87 ALDH1A1 (0.57) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL10412083 0.84 MEN1 (0.52) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL25864607 0.84 RBP4 (0.53) RBP4MEN1MAPTKMT2AALDH1A1
SCHEMBL20042188 0.84 MAPT (0.54) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL16836632 0.83 MEN1 (0.53) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL30995422 0.82 PIK3CA (0.51) RBP4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31706344 0.81 ACHE (0.61) MEN1MAPTKMT2ATSHRSMN1; SMN2
SCHEMBL30995427 0.81 ACHE (0.61) MEN1MAPTKMT2ATSHRSMN1; SMN2

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-2023090829-A1 LOW-MOLECULAR-WEIGHT COMPOUND FOR REGULATING MLL1-WDR5 INTERACTION AND USE THEREOF 엘젠테라퓨틱스 주식회사 2023-05-25 WO disclosed