SCHEMBL30968015

SCHEMBL30968015

Cc1nc([C@@H]2C[C@H]2c2ccc(C(=O)N(C)C3C[C@]4(C)CC[C@](C)(C3)N4)cc2Cl)c2ccccc2n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
PTAFR P25105 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALOX15 P16050 2/20 0.32
ADRA2A P08913 1/20 0.31
MCHR1 Q99705 1/20 0.31
GPR142 Q7Z601 2/20 0.31
FLT3 P36888 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL30968089 1.00 PARP1 (0.33) PARP1PTAFRALDH1A1MEN1KMT2A
SCHEMBL30968100 0.84 PTAFR (0.35) PARP1PTAFRALDH1A1MEN1KMT2A
SCHEMBL30968042 0.84 PTAFR (0.35) PARP1PTAFRALDH1A1MEN1KMT2A
SCHEMBL30968132 0.84 PTAFR (0.35) PARP1PTAFRALDH1A1MEN1KMT2A
SCHEMBL30968098 0.84 ALOX15 (0.36) ALOX15
SCHEMBL30967993 0.84 ALOX15 (0.36) ALOX15
SCHEMBL30968069 0.80 MAPK1 (0.38) MEN1KMT2AADRA2AMCHR1
SCHEMBL30968046 0.79 GPR142 (0.32) ALDH1A1ALOX15GPR142
SCHEMBL30968099 0.79 HCRTR1 (0.32) ALDH1A1ALOX15
SCHEMBL30968036 0.79 HCRTR1 (0.32) ALDH1A1ALOX15

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-118239959-A Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed