SCHEMBL30003250

SCHEMBL30003250

COc1cc(N)c(F)cc1OCc1c(F)ccc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.41
CASP6 P55212 1/20 0.41
G6PD P11413 1/20 0.41
PDE10A Q9Y233 3/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
MCHR1 Q99705 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35

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
SCHEMBL28892537 1.00 NSD2 (0.41) NSD2CASP6G6PDPDE10AMEN1
SCHEMBL28892621 0.87 NSD2 (0.41) NSD2CASP6G6PDPDE10AMEN1
SCHEMBL30002638 0.87 NSD2 (0.41) NSD2CASP6G6PDPDE10AMEN1
SCHEMBL28959473 0.84 NSD2 (0.47) NSD2CASP6G6PDRAB9ANPC1
SCHEMBL30002712 0.84 NSD2 (0.47) NSD2CASP6G6PDRAB9ANPC1
SCHEMBL28892399 0.83 KIT (0.39) NSD2CASP6G6PDMEN1KMT2A
SCHEMBL30003339 0.83 KIT (0.39) NSD2CASP6G6PDMEN1KMT2A
SCHEMBL28892574 0.81 G6PD (0.50) NSD2CASP6G6PDMEN1KMT2A
SCHEMBL13577270 0.80 ERBB2 (0.45) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL30003152 0.79 KIT (0.36) NSD2CASP6G6PDSMN1; SMN2MAPT

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