SCHEMBL28482138

SCHEMBL28482138

CC1CN(C(=O)O)C(C)(Cc2ccccc2)CC1(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
GRIN2B Q13224 3/20 0.36
MAPT P10636 2/20 0.36
BRD4 O60885 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL1190993 0.75 CYP3A4 (0.39) LMNAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL21825342 0.73 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL14881906 0.73 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL20320658 0.73 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL1717495 0.72 ALDH1A1 (0.36) LMNAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL25424053 0.69 ALDH1A1 (0.34) LMNAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL22982776 0.69 MEN1 (0.39) LMNAALDH1A1MEN1KMT2AGRIN2B
SCHEMBL22982851 0.68 CPB2 (0.39) LMNAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL28665811 0.68
SCHEMBL12612018 0.67 HPGD (0.42) LMNAALDH1A1MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111918651-B GCN2 inhibitors and uses thereof 默克专利股份有限公司 2024-01-30 CN disclosed
CN-111918651-A GCN2 inhibitors and uses thereof 默克专利股份有限公司 2020-11-10 CN disclosed