SCHEMBL29846147

SCHEMBL29846147

CC(C)C(=O)Nc1cnc(Cc2cccc(F)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.52
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ ITK Q08881 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GPR52 Q9Y2T5 1/20 0.41
▸ FPR1 P21462 1/20 0.41
▸ NR3C2 P08235 1/20 0.40
▸ GLS O94925 2/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ SCD O00767 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ GAA P10253 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
SCHEMBL24952911 1.00 RAB9A (0.52) RAB9AMAPTALDH1A1ITKFFAR1
SCHEMBL28854651 0.81 CDK9 (0.43) RAB9AALDH1A1ITKFFAR1POLB
SCHEMBL29799786 0.81 CDK9 (0.43) RAB9AALDH1A1ITKFFAR1POLB
SCHEMBL24846069 0.80 RAB9A (0.67) RAB9APOLBGLSMEN1KMT2A
SCHEMBL29861014 0.76 RAB9A (0.60) RAB9AMAPTALDH1A1NR3C2L3MBTL1
SCHEMBL24931553 0.76 RAB9A (0.60) RAB9AMAPTALDH1A1NR3C2L3MBTL1
SCHEMBL21394491 0.75 RAB9A (0.43) RAB9AMAPTALDH1A1ITKFFAR1
SCHEMBL28854654 0.74 HCAR2 (0.48) FFAR1GPR52NR3C2GLSDGAT1
SCHEMBL29846096 0.74 HCAR2 (0.48) FFAR1GPR52NR3C2GLSDGAT1
SCHEMBL24954194 0.72 MAPT (0.62) RAB9AMAPTALDH1A1POLBMEN1

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-114845709-B MRGPRX2 antagonists for the treatment of inflammatory disorders 德米拉公司 2024-10-01 — — CN disclosed
CN-114845709-A MRGPRX2 antagonists for use in treating inflammatory disorders 德米拉公司 2022-08-02 — — CN disclosed
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