SCHEMBL23933219

SCHEMBL23933219

[CH]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](N1CCOCC1)(C2)C3

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2A13 Q16696 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
TP53 P04637 1/20 0.32
EPHX2 P34913 1/20 0.32
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL23933220 1.00 KDM4E (0.37) KDM4EMEN1KMT2AALDH1A1CYP2A13
SCHEMBL1150375 0.84 KDM4E (0.48) KDM4EMEN1KMT2AALDH1A1CYP2A13
SCHEMBL15922897 0.67 TP53 (0.41) KDM4EMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL25044952 0.64 CYP2A13 (0.38) KDM4EALDH1A1CYP2A13EPHX2
SCHEMBL15922741 0.64 TP53 (0.39) MEN1KMT2ASIGMAR1TP53MAPK1
SCHEMBL11355878 0.64 HSD11B1 (0.41) MEN1KMT2ASIGMAR1TP53MAPK1
SCHEMBL15922928 0.62 HSD11B1 (0.43) MEN1KMT2ATP53TSHRHTT
SCHEMBL10436532 0.62 HSD11B1 (0.43) MEN1KMT2ATP53TSHRHTT
SCHEMBL1143530 0.62 TP53 (0.41) MEN1KMT2AALDH1A1SIGMAR1TP53
SCHEMBL455945 0.59 TP53 (0.36) KDM4EMEN1KMT2AALDH1A1SIGMAR1

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-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed