SCHEMBL28447735

SCHEMBL28447735

COC1=CC=C(c2ccc(Cl)cc2)CC1(C)N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.36
PTGS1 P23219 3/20 0.36
SLC6A3 Q01959 3/20 0.35
SLC6A2 P23975 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1C3 P42330 1/20 0.32
EGFR P00533 1/20 0.31
TP53 P04637 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
SCHEMBL7086268 0.65 SIGMAR1 (0.36) PTGS2PTGS1MEN1KMT2AL3MBTL1
SCHEMBL28880916 0.63 SIGMAR1 (0.35) PTGS2PTGS1
1,4-Dichlorobenzene SCHEMBL3910732 0.62 MAOB (0.36) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL3947663 0.62 HPGD (0.59) RAB9ANPC1SMN1; SMN2TP53
SCHEMBL28874436 0.61 NPC1 (0.37) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4339852 0.60 PTGS1 (0.43) PTGS2PTGS1MEN1KMT2AL3MBTL1
SCHEMBL5981523 0.60 SIGMAR1 (0.38) PTGS2SLC6A3
SCHEMBL13896954 0.60 SIGMAR1 (0.38) PTGS2SLC6A3MEN1KMT2AL3MBTL1
SCHEMBL25487624 0.59 PTGS2 (0.42) PTGS2PTGS1SLC6A3SLC6A2
SCHEMBL31539908 0.59 KDM1A (0.38) L3MBTL1

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-107531705-B Bicyclic ketone sulfonamide compounds 美国安进公司 2020-09-18 CN disclosed