SCHEMBL30678029

SCHEMBL30678029

O=c1[nH]c2ccccc2nc1/C=C/c1ccc(Br)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.62
▸ PDGFRB P09619 1/20 0.62
▸ FGFR3 P22607 1/20 0.62
▸ KMT2A Q03164 9/20 0.60
▸ NPC1 O15118 7/20 0.60
▸ RAB9A P51151 7/20 0.60
▸ MEN1 O00255 7/20 0.60
▸ KDM4E B2RXH2 6/20 0.60
▸ MAPT P10636 5/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ GAA P10253 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MAPK10 P53779 3/20 0.49
▸ TLR9 Q9NR96 1/20 0.47
▸ MGAM O43451 1/20 0.47
▸ PLAUR Q03405 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ USP2 O75604 1/20 0.45

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
SCHEMBL29115693 1.00 FGFR1 (0.62) FGFR1PDGFRBFGFR3KMT2ANPC1
SCHEMBL1898286 0.78 NPC1 (0.63) FGFR1PDGFRBFGFR3KMT2ANPC1
SCHEMBL1898285 0.78 NPC1 (0.63) FGFR1PDGFRBFGFR3KMT2ANPC1
SCHEMBL28465286 0.76 KMT2A (1.00) FGFR1PDGFRBFGFR3KMT2ANPC1
SCHEMBL1899768 0.72 RAB9A (0.61) FGFR1PDGFRBFGFR3KMT2ANPC1
SCHEMBL3977907 0.72 KDM4E (0.66) FGFR1PDGFRBFGFR3KMT2ANPC1
SCHEMBL29953857 0.72 KDM4E (0.66) FGFR1PDGFRBFGFR3KMT2ANPC1
SCHEMBL6936350 0.71 RAB9A (0.78) FGFR1PDGFRBFGFR3KMT2ANPC1
SCHEMBL7105109 0.71 RAB9A (0.78) FGFR1PDGFRBFGFR3KMT2ANPC1
SCHEMBL28023165 0.70 KDM4E (0.64) FGFR1PDGFRBFGFR3KMT2ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143086-A type-I bioactive photosensitizer targeting histone deacetylase, preparation method and application 上海市第一人民医院 2023-12-01 — — CN claimed
Send feedback