SCHEMBL28211347

SCHEMBL28211347

CCCCOc1ccc(C2=NC(=O)N=C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.54
CYP3A4 P08684 6/20 0.54
LMNA P02545 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CYP19A1 P11511 9/20 0.45
CYP2C9 P11712 8/20 0.45
CYP2C19 P33261 8/20 0.45
CYP1A2 P05177 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
XDH P47989 1/20 0.44
GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL28211346 0.76 CYP1A2 (0.49) CYP3A4LMNAKDM4EMAPTALDH1A1
SCHEMBL5583851 0.73 CYP2D6 (0.76) CYP2D6CYP3A4NPC1RAB9AKDM4E
SCHEMBL9151170 0.73 CYP2D6 (0.76) CYP2D6CYP3A4NPC1RAB9AKDM4E
SCHEMBL28211344 0.72 CYP1A2 (0.42) NPC1RAB9ATSHRCYP19A1CYP2C9
SCHEMBL11588199 0.71 CYP2D6 (0.56) CYP2D6CYP3A4LMNANPY1RNPY2R
SCHEMBL14129958 0.71 CYP2D6 (1.00) CYP2D6CYP3A4LMNANPC1RAB9A
SCHEMBL26850 0.71 LTA4H (0.70) CYP2D6CYP3A4NPC1RAB9AHSD17B10
SCHEMBL6905782 0.69 CYP2D6 (0.70) CYP2D6CYP3A4NPC1RAB9AKDM4E
SCHEMBL10022022 0.69 CYP2D6 (0.70) CYP2D6CYP3A4NPC1RAB9AKDM4E
SCHEMBL28780750 0.69 CYP2D6 (0.70) CYP2D6CYP3A4NPC1RAB9AKDM4E

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-107922345-A Arylsulfonamide compounds and its therapeutical uses as carbonic anhydrase inhibitor 圣诺康生命科学公司 2018-04-17 CN claimed
CN-107922345-A Arylsulfonamide compounds and its therapeutical uses as carbonic anhydrase inhibitor 圣诺康生命科学公司 2018-04-17 CN disclosed