SCHEMBL25201029

SCHEMBL25201029

Cc1cc(C=O)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
GPR119 Q8TDV5 6/20 0.44
ACHE P22303 1/20 0.43
GBA1 P04062 1/20 0.43
PIK3CA P42336 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
PTPN11 Q06124 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
SMPD3 Q9NY59 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
SCHEMBL30427515 1.00 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL18087219 0.88 ALDH1A1 (0.57) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL20042188 0.85 MAPT (0.54) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL16836632 0.84 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL10412083 0.82 MEN1 (0.52) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL27700149 0.81 RBP4 (0.57) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL18063482 0.81 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL30427506 0.81 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL10297496 0.80 GPR119 (0.55) MAPTMEN1KMT2AALDH1A1GPR119
SCHEMBL31518426 0.80 GPR119 (0.56) MAPTMEN1KMT2AALDH1A1HPGD

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