SCHEMBL29808051

SCHEMBL29808051

O=C(NCc1ccccc1)c1nccnn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ MMP13 P45452 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ HPGDS O60760 3/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ ROCK2 O75116 1/20 0.49
▸ RPS6KA5 O75582 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ PRKACA P17612 1/20 0.49
▸ RPS6KB1 P23443 1/20 0.49
▸ AKT1 P31749 1/20 0.49
▸ GSK3A P49840 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ PRKX P51817 1/20 0.49
▸ PRKCD Q05655 1/20 0.49
▸ PRKG2 Q13237 1/20 0.49
▸ ROCK1 Q13464 1/20 0.49

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
SCHEMBL23521924 1.00 KMT2A (0.55) KMT2AMMP13ALDH1A1GAAHPGDS
SCHEMBL29537243 0.88 SMN1; SMN2 (0.57) MMP13ALDH1A1GAAMAPK1ROCK2
SCHEMBL28675585 0.88 SMN1; SMN2 (0.57) MMP13ALDH1A1GAAMAPK1ROCK2
SCHEMBL29612929 0.87 SMN1; SMN2 (0.49) KMT2AGAASMN1; SMN2
SCHEMBL28931232 0.86 KMT2A (0.47) KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL23521860 0.86 KMT2A (0.61) KMT2AMMP13ALDH1A1L3MBTL1HTT
SCHEMBL29819690 0.86 KMT2A (0.61) KMT2AMMP13ALDH1A1L3MBTL1HTT
SCHEMBL5038770 0.85 MMP13 (0.60) KMT2AMMP13ALDH1A1GAAHPGDS
SCHEMBL23522021 0.85 RAB9A (0.56) KMT2AL3MBTL1HDAC2HDAC8HDAC6
SCHEMBL23521747 0.85 CYP2C19 (0.58) KMT2AALDH1A1MAPK1TSHRLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4104902-B1 COMPOUNDS AND MEDICAMENTS USING SAME IRIMAJIRI THERAPEUTICS INC (JP) 2026-05-27 — — EP disclosed
EP-3838901-B1 COMPOUND FOR TREATMENT OF RABIES AND METHOD FOR TREATMENT OF RABIES IRIMAJIRI THERAPEUTICS INC (JP) 2023-09-27 — — EP disclosed
CN-116615423-A Novel peptidomimetic compounds and design 株式会社大分大学先端医学研究所 2023-08-18 — — CN disclosed
EP-4104902-A1 COMPOUND AND DRUG CONTAINING SAME Oita University Institute of Advanced Medicine, Inc. (JP) 2022-12-21 — — EP disclosed
CN-115052661-A Compound and drug using the same 株式会社大分大学先端医学研究所 2022-09-13 — — CN disclosed
CN-112839944-B Compounds and methods for treating rabies 株式会社大分大学先端医学研究所 2022-08-05 — — CN disclosed
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