SCHEMBL30645978

SCHEMBL30645978

COc1cc2c(Oc3ccc([N+](=O)[O-])cc3)cnnc2cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 4/20 0.48
▸ KDR P35968 2/20 0.48
▸ PDE10A Q9Y233 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ PDGFRB P09619 3/20 0.43
▸ CYP19A1 P11511 4/20 0.42
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CSF1R P07333 1/20 0.41

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
SCHEMBL29111055 1.00 PDGFRA (0.48) PDGFRAKDRPDE10AMAPTMEN1
SCHEMBL1895559 0.86 PDGFRA (0.65) PDGFRAKDRPDGFRB
SCHEMBL30646060 0.79 KDR (0.45) PDGFRAKDRABCG2PDGFRBFLT4
SCHEMBL28423107 0.79 KDR (0.45) PDGFRAKDRABCG2PDGFRBFLT4
SCHEMBL28423295 0.79 NPC1 (0.45) PDGFRAKDRMAPTMEN1KMT2A
SCHEMBL14451809 0.78 MAPT (0.56) MAPTMEN1KMT2ACYP19A1CYP11B1
SCHEMBL4236466 0.78 MAPT (0.53) MAPTMEN1KMT2ANPC1NFKB1
SCHEMBL30646051 0.77 MAPT (0.44) PDGFRAKDRMAPTMEN1KMT2A
SCHEMBL28430434 0.77 MAPT (0.44) PDGFRAKDRMAPTMEN1KMT2A
SCHEMBL3914239 0.76 MET (0.52) PDGFRAKDRMAPTCYP19A1CYP11B1

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-111253385-B Heterocyclic compound, preparation method and application 遵义医科大学珠海校区 2023-11-24 — — CN disclosed
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