SCHEMBL26080326

SCHEMBL26080326

CC(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)I)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ MLYCD O95822 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL11742987 0.91 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL21370329 0.86 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL27258756 0.85 MEN1 (0.67) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL19159739 0.85 TSHR (0.63) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL12808455 0.83 CA12 (0.53) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL21791716 0.82 TSHR (0.69) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL18804817 0.81 CA12 (0.51) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL18880072 0.80 ALDH1A1 (0.73) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL18804818 0.80 HPGD (0.56) KMT2AMEN1ALDH1A1MAPTRXFP1
SCHEMBL8952281 0.79 KMT2A (0.58) KMT2AMEN1ALDH1A1MAPTRXFP1

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-20230312877-A1 NON-HALOGENATED MULTI-MELAMINE FLAME-RETARDANT COMPOUNDS AND SALTS THEREOF AND PROCESSES FOR THEIR PREPARATION STATE OF ISRAEL, PRIME MINISTER'S OFFICE, ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2023-10-05 — — US disclosed
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