SCHEMBL29120815

SCHEMBL29120815

Cc1cccc(NC(=O)c2cc(-c3ccncc3)nn2CCCCn2nc(-c3ccncc3)cc2C(=O)Nc2cccc(C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ TRPV4 Q9HBA0 1/20 0.49
▸ KCNK3 O14649 1/20 0.48
▸ KCNK9 Q9NPC2 1/20 0.48
▸ SCN2A Q99250 2/20 0.47
▸ SCN10A Q9Y5Y9 2/20 0.47
▸ MAPT P10636 4/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ NT5E P21589 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ FLT1 P17948 2/20 0.44
▸ KDR P35968 2/20 0.44

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
SCHEMBL30620614 1.00 KMT2A (0.49) KMT2ASMN1; SMN2PKMTRPV4KCNK3
SCHEMBL29170597 0.88 LMNA (0.54) SMN1; SMN2TRPV4MAPTRAB9ANPC1
SCHEMBL29120798 0.87 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2TRPV4MAPTRAB9A
SCHEMBL29120796 0.87 TRPV4 (0.49) KMT2ASMN1; SMN2TRPV4MAPTRAB9A
SCHEMBL29170580 0.87 TRPV4 (0.51) KMT2ASMN1; SMN2TRPV4MAPTRAB9A
SCHEMBL29120804 0.86 MAPT (0.63) KMT2ASMN1; SMN2PKMTRPV4MAPT
SCHEMBL29120803 0.86 RAB9A (0.52) KMT2ASMN1; SMN2TRPV4MAPTRAB9A
SCHEMBL29120791 0.84 GRM4 (0.50) TRPV4MAPTHTTGSK3BALDH1A1
SCHEMBL29120805 0.84 TRPV4 (0.47) KMT2ATRPV4MAPTRAB9ANPC1
SCHEMBL29120793 0.83 MAPT (0.51) KMT2ASMN1; SMN2PKMTRPV4MAPT

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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