SCHEMBL29518137

SCHEMBL29518137

Cc1ccc(NN=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.77
▸ KDM4E B2RXH2 10/20 0.77
▸ KMT2A Q03164 8/20 0.77
▸ ALDH1A1 P00352 8/20 0.77
▸ MEN1 O00255 7/20 0.77
▸ GAA P10253 6/20 0.77
▸ HPGD P15428 3/20 0.77
▸ ALOX12 P18054 1/20 0.77
▸ NPSR1 Q6W5P4 1/20 0.77
▸ NPC1 O15118 4/20 0.71
▸ RAB9A P51151 4/20 0.71
▸ POLB P06746 6/20 0.60
▸ TDP1 Q9NUW8 4/20 0.60
▸ PKM P14618 2/20 0.60
▸ CTDSP1 Q9GZU7 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ RECQL P46063 1/20 0.60
▸ BLM P54132 1/20 0.57
▸ GFER P55789 1/20 0.54
▸ HSP90AA1 P07900 1/20 0.54

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
SCHEMBL29518135 1.00 MAPT (0.77) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL12112134 0.94 MAPT (0.77) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL12113861 0.92 GAA (0.87) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL28369671 0.76 PHGDH (0.69) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL28369669 0.76 PHGDH (0.69) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL6422197 0.76 KDM4E (0.62) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL6422200 0.76 KDM4E (0.62) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL21292833 0.75 PHGDH (0.85) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL20115633 0.75 PHGDH (0.85) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL6721163 0.74 ALDH1A1 (0.75) MAPTKDM4EKMT2AALDH1A1MEN1

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
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 — — WO claimed
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 — — WO disclosed
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