SCHEMBL29120798

SCHEMBL29120798

O=C(Nc1cccc(Cl)c1)c1cc(-c2ccncc2)nn1CCCCn1nc(-c2ccncc2)cc1C(=O)Nc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ BRAF P15056 2/20 0.52
▸ TRPV4 Q9HBA0 1/20 0.49
▸ GRM4 Q14833 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ KDR P35968 6/20 0.47
▸ FLT1 P17948 3/20 0.47
▸ NAMPT P43490 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ NCOA1 Q15788 1/20 0.45
▸ NCOA3 Q9Y6Q9 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
SCHEMBL29120786 0.88 FLT1 (0.60) MEN1KMT2AKDRFLT1LMNA
SCHEMBL29170580 0.87 TRPV4 (0.51) SMN1; SMN2MEN1KMT2ATRPV4HDAC6
SCHEMBL29120796 0.87 TRPV4 (0.49) SMN1; SMN2MEN1KMT2ABRAFTRPV4
SCHEMBL30620614 0.87 KMT2A (0.49) SMN1; SMN2MEN1KMT2ATRPV4HDAC6
SCHEMBL29120815 0.87 KMT2A (0.49) SMN1; SMN2MEN1KMT2ATRPV4HDAC6
SCHEMBL29120791 0.84 GRM4 (0.50) TRPV4GRM4HTTMAPT
SCHEMBL29120804 0.84 MAPT (0.63) SMN1; SMN2MEN1KMT2ABRAFTRPV4
SCHEMBL29120805 0.84 TRPV4 (0.47) MEN1KMT2ABRAFTRPV4GRM4
SCHEMBL29120793 0.83 MAPT (0.51) SMN1; SMN2MEN1KMT2ATRPV4POLB
SCHEMBL29120792 0.83 TP53 (0.63) SMN1; SMN2MEN1KMT2ATRPV4KDR

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
CN-116947822-B Pyridine biimidazole dimer compound, and preparation method and application thereof 河南牧业经济学院 2024-01-26 — — CN disclosed
CN-116947822-A Pyridine biimidazole dimer compound, and preparation method and application thereof 河南牧业经济学院 2023-10-27 — — CN disclosed
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