SCHEMBL29120804

SCHEMBL29120804

COc1cccc(NC(=O)c2cc(-c3ccncc3)nn2CCCCn2nc(-c3ccncc3)cc2C(=O)Nc2cccc(OC)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.63
▸ ALDH1A1 P00352 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ BRAF P15056 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ GRM4 Q14833 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ NAMPT P43490 1/20 0.48

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
SCHEMBL29120789 0.89 CYP3A4 (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL29120815 0.86 KMT2A (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30620614 0.86 KMT2A (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL29170580 0.84 TRPV4 (0.51) MAPTMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL29120798 0.84 SMN1; SMN2 (0.54) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL29120796 0.84 TRPV4 (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL29120805 0.82 TRPV4 (0.47) MAPTLMNAMEN1KMT2ABRAF
SCHEMBL29120791 0.82 GRM4 (0.50) MAPTALDH1A1TP53GRM4HTT
SCHEMBL29170597 0.81 LMNA (0.54) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL29120810 0.81 HDAC6 (0.53) MAPTLMNAMEN1KMT2AKDM4E

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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