SCHEMBL24736689

SCHEMBL24736689

CC(C)c1ccc(N2CCC(N)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KDM1A O60341 4/20 0.40
HTR6 P50406 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACACB O00763 5/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL21267335 0.84 GAA (0.44) GAAHPGDSMN1; SMN2ACACBALDH1A1
SCHEMBL12127781 0.82 PIK3CD (0.41) GAAHTR6HPGDSMN1; SMN2ACACB
SCHEMBL27358318 0.82 GAA (0.45) GAAHPGDSMN1; SMN2ACACBALDH1A1
SCHEMBL24123770 0.82 ALDH1A1 (0.41) HTR6SMN1; SMN2ACACBALDH1A1
SCHEMBL12160700 0.82 ALDH1A1 (0.53) GAAHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL13419247 0.81 SSTR2 (0.43) GAAHPGDSMN1; SMN2ACACBALDH1A1
SCHEMBL14924068 0.81 L3MBTL3 (0.46) GAAHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL16249197 0.80 ALDH1A1 (0.51) GAAHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL4539952 0.80 ALDH1A1 (0.45) GAAHPGDSMN1; SMN2ACACBALDH1A1
SCHEMBL25085653 0.80 GAA (0.40) GAAHPGDSMN1; SMN2ACACBALDH1A1

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-2022245061-A1 BENZAMIDE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER CONTAINING SAME AS ACTIVE INGREDIENT 에이치케이이노엔 주식회사 2022-11-24 WO disclosed