SCHEMBL30967993

SCHEMBL30967993

Cc1nc([C@H]2C[C@@H]2c2ccc(C(=O)N(C)C3C[C@]4(C)CC[C@](C)(C3)N4)c(Cl)c2)c2ccccc2n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
WNK1 Q9H4A3 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
SCHEMBL30968098 1.00 ALOX15 (0.36) ALOX15HPGDTSHRWNK1
SCHEMBL30968015 0.84 PARP1 (0.33) ALOX15
SCHEMBL30968089 0.84 PARP1 (0.33) ALOX15
SCHEMBL30968025 0.79
SCHEMBL30968106 0.79
SCHEMBL30968122 0.78 WNK1 (0.33) HPGDTSHRWNK1
SCHEMBL30968100 0.68 PTAFR (0.35)
SCHEMBL30968042 0.68 PTAFR (0.35)
SCHEMBL30968132 0.68 PTAFR (0.35)
SCHEMBL30968069 0.64 MAPK1 (0.38) TSHR

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