SCHEMBL23943752

SCHEMBL23943752

COc1cc(CN2CCNCC2)ccc1OC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
SLC6A4 P31645 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
APOBEC3A P31941 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL11841171 0.89 CYP1A2 (0.57) KMT2AMAPK1KDM4EMEN1TP53
SCHEMBL29756433 0.89 CYP1A2 (0.57) KMT2AMAPK1KDM4EMEN1TP53
SCHEMBL4324560 0.89 CYP1A2 (0.57) KMT2AMAPK1KDM4EMEN1TP53
Hydrochloric Acid SCHEMBL10407517 0.87 APOBEC3A (0.58) KMT2AMAPK1KDM4EMEN1TP53
SCHEMBL16850419 0.85 CRHBP (0.50) KMT2AMEN1CYP1A2CHRM2SLC6A4
SCHEMBL20490913 0.84 CXCR4 (0.47) KMT2AMEN1CHRM2SMN1; SMN2
SCHEMBL9397289 0.83 CXCR4 (0.60) KMT2AMEN1CYP1A2CHRM2SLC6A4
Hydrochloric Acid SCHEMBL15302696 0.83 KMT2A (0.51) KMT2AMAPK1KDM4EMEN1TP53
SCHEMBL23943837 0.82 CHRM2 (0.48) KMT2AMAPK1KDM4EMEN1TP53
SCHEMBL18970191 0.80 ALDH1A1 (0.56) KMT2AMEN1CYP1A2CHRM2SLC6A4

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-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO disclosed