SCHEMBL29120796

SCHEMBL29120796

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.49
▸ FLT1 P17948 2/20 0.45
▸ KDR P35968 2/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GAA P10253 1/20 0.42

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
SCHEMBL29120800 0.88 MEN1 (0.48) TRPV4FLT1KDRMEN1KMT2A
SCHEMBL29120815 0.87 KMT2A (0.49) TRPV4FLT1KDRMEN1KMT2A
SCHEMBL29120798 0.87 SMN1; SMN2 (0.54) TRPV4FLT1KDRMEN1KMT2A
SCHEMBL30620614 0.87 KMT2A (0.49) TRPV4FLT1KDRMEN1KMT2A
SCHEMBL29170580 0.87 TRPV4 (0.51) TRPV4MEN1KMT2ANPC1RAB9A
SCHEMBL29120791 0.84 GRM4 (0.50) TRPV4MAPTALDH1A1HTTL3MBTL1
SCHEMBL29120804 0.84 MAPT (0.63) TRPV4MEN1KMT2ALMNANPC1
SCHEMBL29120805 0.84 TRPV4 (0.47) TRPV4FLT1KDRMEN1KMT2A
SCHEMBL29120793 0.83 MAPT (0.51) TRPV4MEN1KMT2ALMNANPC1
SCHEMBL29120819 0.83 TP53 (0.48) TRPV4FLT1KDRMEN1KMT2A

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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