SCHEMBL30968016

SCHEMBL30968016

Cc1cc(C2CC2c2ccc(C(=O)O)cc2Cl)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
GUSB P08236 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.39
HCRTR1 O43613 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
ADAM17 P78536 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL30968069 0.84 MAPK1 (0.38) MAPTMEN1KMT2AMAPK1
SCHEMBL30967987 0.81 PTAFR (0.36) RAB9AMEN1KMT2A
SCHEMBL31065785 0.75 USP30 (0.39) MEN1KMT2AADAM17
SCHEMBL30968109 0.75 USP30 (0.39) MEN1KMT2AADAM17
SCHEMBL30967972 0.74 DHODH (0.37) MAPT
SCHEMBL22878631 0.72 TSHR (0.52) MAPTMEN1KMT2A
SCHEMBL30968023 0.72 SLC22A12 (0.36) MEN1HCRTR1KMT2AKDM4E
SCHEMBL30251661 0.70 LMNA (0.62) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL2884817 0.70 LMNA (0.62) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL21407909 0.69 TSHR (0.47) NPC1MEN1KMT2A

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