SCHEMBL13980433

SCHEMBL13980433

CC(C)C1CC[C@@](C)(C(C)NC(=O)c2nn(Cc3ccccc3)c3c2C[S+]([O-])CC3)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
SMYD3 Q9H7B4 2/20 0.33
IDH1 O75874 1/20 0.32
BRD4 O60885 1/20 0.32
LMNA P02545 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP19A1 P11511 4/20 0.30
USP30 Q70CQ3 1/20 0.30
HTR4 Q13639 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL4886396 0.76 CNR2 (0.45)
SCHEMBL3890975 0.74 HPGD (0.41) MEN1KMT2ASIGMAR1BRD4LMNA
SCHEMBL13871330 0.69 POLB (0.49) MEN1KMT2ASMN1; SMN2
SCHEMBL300348 0.68 POLB (0.49) MEN1KMT2ASIGMAR1SMN1; SMN2
SCHEMBL14003128 0.67 P2RX7 (0.46) MEN1KMT2ASIGMAR1SMN1; SMN2
SCHEMBL300505 0.67 SIGMAR1 (0.46) MEN1KMT2ASIGMAR1SMYD3BRD4
SCHEMBL14003141 0.67 SIGMAR1 (0.46) MEN1KMT2ASIGMAR1SMYD3BRD4
SCHEMBL14003143 0.67 SIGMAR1 (0.46) MEN1KMT2ASIGMAR1SMYD3BRD4
SCHEMBL4709016 0.67 CNR2 (0.40)
SCHEMBL4712108 0.66 TDP1 (0.43) MEN1KMT2ATDP1LMNACYP19A1

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
EP-1863479-B1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CROSS REFERENCE TO RELATED APPLICATIONS JANSSEN PHARMACEUTICA NV (BE) 2008-12-10 EP disclosed