SCHEMBL30719996

SCHEMBL30719996

CC(C)(C)OC(=O)N1CCN2c3ncc(C(F)(F)F)cc3CC2C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TIPARP Q7Z3E1 5/20 0.41
MAPT P10636 1/20 0.40
GPR119 Q8TDV5 7/20 0.40
STS P08842 1/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL30729618 0.88 TIPARP (0.40) MEN1KMT2AHDAC6HDAC8SMN1; SMN2
SCHEMBL24764576 0.88 TIPARP (0.54) MEN1KMT2AHDAC6HDAC8TIPARP
SCHEMBL24640582 0.87 HDAC6 (0.42) MEN1KMT2AHDAC6HDAC8SMN1; SMN2
SCHEMBL29841730 0.85 MEN1 (0.43) MEN1KMT2AHDAC6HDAC8SMN1; SMN2
SCHEMBL24675338 0.85 MEN1 (0.41) MEN1KMT2AHDAC6HDAC8SMN1; SMN2
SCHEMBL30658112 0.85 MEN1 (0.41) MEN1KMT2AHDAC6HDAC8SMN1; SMN2
SCHEMBL30729648 0.85 MEN1 (0.43) MEN1KMT2AHDAC6HDAC8SMN1; SMN2
SCHEMBL29088953 0.85 MEN1 (0.43) MEN1KMT2AHDAC6HDAC8SMN1; SMN2
SCHEMBL30658111 0.85 MEN1 (0.41) MEN1KMT2AHDAC6HDAC8SMN1; SMN2
SCHEMBL24675215 0.84 TIPARP (0.42) MEN1KMT2AHDAC6HDAC8SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430606-A Sulfonamide PARP7 inhibitors 山东轩竹医药科技有限公司 2024-01-23 CN disclosed
CN-117396485-A PARP7 inhibitors 轩竹生物科技股份有限公司 2024-01-12 CN disclosed