SCHEMBL28601101

SCHEMBL28601101

CC(C)(C)C(=O)n1cccc1CN

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 3/20 0.32
MAPT P10636 1/20 0.32
RIPK1 Q13546 3/20 0.32
ELANE P08246 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NPC1 O15118 2/20 0.31
LOXL2 Q9Y4K0 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL19396390 0.79 RAB9A (0.34) MEN1KMT2ARAB9AMAPTRIPK1
SCHEMBL15223025 0.77 KDM4E (0.33) MEN1KMT2A
SCHEMBL29296514 0.72 KMT2A (0.37) MEN1KMT2AMAPTRIPK1ELANE
SCHEMBL29296505 0.72 KMT2A (0.37) MEN1KMT2ARIPK1ELANEALDH1A1
SCHEMBL4438414 0.71 MEN1 (0.34) MEN1KMT2ARIPK1ELANEALDH1A1
SCHEMBL2563228 0.69 KMT2A (0.35) MEN1KMT2ARIPK1ELANEHPGD
SCHEMBL29296516 0.68 PGR (0.38) MEN1KMT2ARAB9AMAPTRIPK1
SCHEMBL246455 0.63
SCHEMBL21407447 0.63 NOTUM (0.42) RAB9APTGS1PTGS2NPC1ALDH1A1
SCHEMBL445392 0.62 HSP90AA1 (0.44) ALDH1A1

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-113121401-B N-substituted carbonyl fluorosulfonamide compound, preparation method and application thereof 中国科学院上海有机化学研究所 2022-10-04 CN disclosed
CN-113121401-A N-substituted carbonyl fluorosulfonamide compound, preparation method and application thereof 中国科学院上海有机化学研究所 2021-07-16 CN disclosed