SCHEMBL28936769

SCHEMBL28936769

CC(C)(C)NC(=O)Oc1c(Br)csc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 3/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 5/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 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
SCHEMBL28703543 0.77 RAB9A (0.37) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL15911023 0.75 RAB9A (0.38) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL28720205 0.73 LCK (0.33) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL28707029 0.73 ALDH1A1 (0.36) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL8745445 0.73 MEN1 (0.36) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL28936810 0.72 ALDH1A1 (0.35) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL9210244 0.72 HDAC3 (0.35) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL28706981 0.72 ALDH1A1 (0.35) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL21747566 0.71 GRM5 (0.33) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL28717490 0.71 ALDH1A1 (0.34) RAB9ANPC1MEN1KMT2AGAA

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-114222739-A Sulfonylurea derivatives and use thereof 诺瑟拉有限公司 2022-03-22 CN disclosed