SCHEMBL29861041

SCHEMBL29861041

CC1(C)C(C(=O)Nc2ccc(C#N)cn2)C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TMPRSS4 Q9NRS4 1/20 0.48
USP30 Q70CQ3 1/20 0.46
DEGS1 O15121 1/20 0.45
HCRTR2 O43614 8/20 0.44
HCRTR1 O43613 7/20 0.44
WNT1 P04628 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
CYP2C8 P10632 1/20 0.43
CYP2C19 P33261 1/20 0.43
BRD4 O60885 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL24932245 1.00 MEN1 (0.51) MEN1KMT2ATMPRSS4USP30DEGS1
SCHEMBL24931559 0.86 KMT2A (0.47) MEN1KMT2ADEGS1HCRTR2HCRTR1
SCHEMBL18838986 0.82 USP30 (0.54) MEN1KMT2ATMPRSS4USP30DEGS1
SCHEMBL24931494 0.81 GSK3B (0.46) USP30HCRTR2HCRTR1WNT1GSK3B
SCHEMBL1430551 0.80 KMT2A (0.57) MEN1KMT2ATMPRSS4USP30DEGS1
SCHEMBL24932374 0.79 BRAF (0.40) MEN1KMT2AHCRTR2HCRTR1WNT1
SCHEMBL2585205 0.78 MAPT (0.50) MEN1KMT2A
SCHEMBL24932388 0.78 RAB9A (0.64)
SCHEMBL24932386 0.78 DEGS1 (0.53) DEGS1
SCHEMBL3715011 0.78 MEN1 (0.58) MEN1KMT2ATMPRSS4USP30DEGS1

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-114901280-A MrgprX2 antagonists and uses thereof 德米拉公司 2022-08-12 CN disclosed