Sugi Predict

Sugi Predict / Compounds / SCHEMBL24251277

SCHEMBL24251277

SCHEMBL24251277

C=C/C=C\C=C(/C)N1C(=O)/C(=C\c2cn(C(C)C(=O)OC)c3ccccc23)C(=O)N1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 14/20 0.40
▸ MEN1 O00255 13/20 0.40
▸ CRHBP P24387 3/20 0.37
▸ CRHR2 Q13324 3/20 0.37
▸ DHFR P00374 3/20 0.36
▸ USP2 O75604 1/20 0.33
▸ TNFRSF1A P19438 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL24943513 0.78 MEN1 (0.45) KMT2AMEN1CRHBPCRHR2DHFR
SCHEMBL26277375 0.78 MEN1 (0.45) KMT2AMEN1CRHBPCRHR2DHFR
SCHEMBL26277395 0.76 KMT2A (0.47) KMT2AMEN1CRHBPCRHR2DHFR
SCHEMBL24251276 0.76 KMT2A (0.45) KMT2AMEN1CRHBPCRHR2DHFR
SCHEMBL22924029 0.76 KMT2A (0.45) KMT2AMEN1CRHBPCRHR2DHFR
SCHEMBL24251265 0.76 MEN1 (0.45) KMT2AMEN1CRHBPCRHR2DHFR
SCHEMBL24614118 0.74 KMT2A (0.46) KMT2AMEN1CRHBPCRHR2DHFR
SCHEMBL31344372 0.70 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL8740876 0.70 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL14574109 0.69 MAPT (0.63) KMT2AMEN1DHFRALDH1A1LMNA

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
US-20220049068-A1 RESIN COMPOSITION, LIQUID COMPOSITION, COLORING AGENT COMPOUND, AND OPTICAL MATERIAL FUJIFILM CORPORATION (JP) 2022-02-17 — — US disclosed
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