SCHEMBL30278776

SCHEMBL30278776

CN1CCN(c2ccc3cc(C#N)cnc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HTR3A P46098 2/20 0.51
HPGDS O60760 1/20 0.51
CHEK1 O14757 2/20 0.51
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAP4K1 Q92918 1/20 0.47
HRH4 Q9H3N8 3/20 0.46
MET P08581 2/20 0.46
TP53 P04637 1/20 0.45
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL10737787 0.86 HPGDS (0.48) MEN1KMT2AGLAGAAHTR3A
SCHEMBL28331701 0.86 TERT (0.58) MEN1KMT2AHPGDSKDM4ESMN1; SMN2
SCHEMBL15534193 0.85 DRD2 (0.52) HTR3AHPGDSCHEK1TERT
SCHEMBL15533996 0.78 EGLN2 (0.55) MEN1KMT2AHPGDSSMN1; SMN2MET
SCHEMBL27971129 0.75 TERT (0.46) MEN1KMT2AHPGDSKDM4ERAB9A
SCHEMBL28049761 0.75 HTR3A (0.50) MEN1KMT2AGLAGAAHTR3A
SCHEMBL21835803 0.75 CHEK1 (0.53) MEN1KMT2AGLAGAAHTR3A
SCHEMBL30326588 0.74 HRH3 (0.57) HPGDSCHEK1NPC1RAB9AHRH4
SCHEMBL28089049 0.73 MAPT (0.55) MEN1KMT2AGAACHEK1KDM4E
SCHEMBL4221803 0.73 MEN1 (0.67) MEN1KMT2AGLAGAAHTR3A

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
CN-115769077-A Methods and compositions for treating cancer 安锦生物科技私人有限公司 2023-03-07 CN claimed