SCHEMBL30718312

SCHEMBL30718312

Cn1ccc2c(Cl)nnc(Cl)c21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GOT1 P17174 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
SCHEMBL25072439 1.00 HSD11B1 (0.35) HSD11B1MEN1GFERKMT2AALDH1A1
SCHEMBL31361277 0.81 ALDH1A1 (0.38) HSD11B1ALDH1A1
SCHEMBL31361287 0.77 CYP1A2 (0.36) MEN1KMT2AALDH1A1POLB
SCHEMBL12491276 0.74 TRPM8 (0.33) HSD11B1ALDH1A1POLB
SCHEMBL12491359 0.74 TRPM8 (0.34) HSD11B1
SCHEMBL31082851 0.72 CYP2A6 (0.33)
SCHEMBL15788366 0.71 PARG (0.37) MEN1KMT2AALDH1A1POLB
SCHEMBL3990597 0.66 CYP3A4 (0.39) KMT2AALDH1A1
SCHEMBL31083081 0.65 HSD11B1 (0.33) HSD11B1
SCHEMBL18876196 0.64 HSD11B1 (0.34) HSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119161346-A Pyrrolo-ring compound and application thereof in medicine 康百达(四川)生物医药科技有限公司 2024-12-20 CN disclosed
CN-118619943-A Heteroaromatic ring compound, pharmaceutical composition and application thereof 上海艾力斯医药科技股份有限公司 2024-09-10 CN disclosed
WO-2024006559-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2024-01-04 WO disclosed