SCHEMBL30002409

SCHEMBL30002409

COc1cc(F)c([N+](=O)[O-])cc1OCc1ccc(F)c2scnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
GAA P10253 4/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 9/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34

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
SCHEMBL28892558 1.00 LMNA (0.38) LMNAGAAPKMRAB9ANPC1
SCHEMBL28959472 0.91 LMNA (0.38) LMNAGAAPKMRAB9ANPC1
SCHEMBL30002416 0.91 LMNA (0.38) LMNAGAAPKMRAB9ANPC1
SCHEMBL30002621 0.84 GAA (0.40) LMNAGAAPKMRAB9ANPC1
SCHEMBL28892761 0.84 GAA (0.40) LMNAGAAPKMRAB9ANPC1
SCHEMBL28892714 0.82 GAA (0.40) LMNAGAAPKMRAB9ANPC1
SCHEMBL30003319 0.82 GAA (0.40) LMNAGAAPKMRAB9ANPC1
SCHEMBL30002396 0.81 KIT (0.35) GAARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL28892739 0.81 KIT (0.35) GAARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL28892725 0.81 ALDH1A1 (0.36) LMNAGAAPKMRAB9ASMN1; SMN2

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-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed