SCHEMBL28474010

SCHEMBL28474010

COc1ccc(C(=O)N2CC[CH]CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.75
POLB P06746 2/20 0.63
GAA P10253 2/20 0.63
ALDH1A1 P00352 6/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
DRD2 P14416 4/20 0.58
DRD3 P35462 2/20 0.58
TSHR P16473 1/20 0.58
GPR183 P32249 1/20 0.58
GRM3 Q14832 2/20 0.57
LMNA P02545 2/20 0.57
HSD11B1 P28845 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL20631562 0.89 HPGD (0.86) HPGDPOLBGAAALDH1A1L3MBTL1
SCHEMBL2534411 0.86 HPGD (1.00) HPGDPOLBGAAALDH1A1L3MBTL1
SCHEMBL2535536 0.84 HPGD (0.96) HPGDPOLBGAAALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL5213430 0.83 HPGD (0.93) HPGDPOLBGAAALDH1A1L3MBTL1
SCHEMBL10053023 0.83 HPGD (0.75) HPGDPOLBGAAALDH1A1L3MBTL1
SCHEMBL7440364 0.81 HPGD (0.73) HPGDPOLBGAAALDH1A1L3MBTL1
SCHEMBL2094842 0.81 HPGD (0.73) HPGDPOLBGAAALDH1A1L3MBTL1
SCHEMBL26487595 0.81 GPR183 (0.73) HPGDPOLBGAAALDH1A1L3MBTL1
SCHEMBL208986 0.81 HPGD (0.73) HPGDPOLBGAAALDH1A1L3MBTL1
SCHEMBL9792247 0.81 HPGD (0.79) HPGDPOLBGAAALDH1A1L3MBTL1

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-112370452-A Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed
CN-107624111-B Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-11-03 CN disclosed