SCHEMBL28205136

SCHEMBL28205136

Cc1cccc2c1NC(C=O)S2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
CREBBP Q92793 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.31
TSHR P16473 1/20 0.31
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2176719 0.73 MEN1 (0.36) DAOCREBBPALDH1A1MEN1KMT2A
SCHEMBL18885231 0.71 IDO1 (0.52) CREBBPALDH1A1MEN1KMT2ABCHE
SCHEMBL31564905 0.71 IDO1 (0.52) CREBBPALDH1A1MEN1KMT2ABCHE
SCHEMBL28367031 0.64 CREBBP (0.45) DAOCREBBPCA12CA1CA2
SCHEMBL2587087 0.62 BCHE (0.42) DAOCREBBPCA12CA1CA2
SCHEMBL29636443 0.62 BCHE (0.42) DAOCREBBPCA12CA1CA2
Iodide SCHEMBL13386176 0.61 BCHE (0.41) DAOCREBBPCA12CA1CA2
SCHEMBL3088689 0.57 DAO (1.00) DAOALDH1A1BCHEGAAMAPT
SCHEMBL8471857 0.57 ALDH1A1 (0.34) DAOCREBBPCA12CA1CA2
Hydrochloric Acid SCHEMBL11306271 0.57 ALDH1A1 (0.34) DAOCA12CA1CA2CA4

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-107835814-A Azabenzimidazoles and their use as ampa receptor modulators 詹森药业有限公司 2018-03-23 CN claimed
CN-107835814-A Azabenzimidazoles and their use as ampa receptor modulators 詹森药业有限公司 2018-03-23 CN disclosed