SCHEMBL29808056

SCHEMBL29808056

O=C(NCc1ccc(Cl)cc1)c1nccnn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ EGLN1 Q9GZT9 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL23521747 1.00 CYP2C19 (0.58) CYP2C19HPGDCYP2C9CYP1A2NPSR1
SCHEMBL29819690 0.87 KMT2A (0.61) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL28931232 0.87 KMT2A (0.47) CYP2C19HPGDCYP2C9CYP1A2NPSR1
SCHEMBL23521860 0.87 KMT2A (0.61) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL28931229 0.85 L3MBTL1 (0.56) CYP2C19CYP1A2KMT2ALMNAMAPT
SCHEMBL29536120 0.85 L3MBTL1 (0.56) CYP2C19CYP1A2KMT2ALMNAMAPT
SCHEMBL23521924 0.85 KMT2A (0.55) KMT2ALMNATSHRALDH1A1MAPK1
SCHEMBL29537243 0.85 SMN1; SMN2 (0.57) LMNAALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL28675585 0.85 SMN1; SMN2 (0.57) LMNAALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL29808051 0.85 KMT2A (0.55) KMT2ALMNATSHRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838901-B1 COMPOUND FOR TREATMENT OF RABIES AND METHOD FOR TREATMENT OF RABIES IRIMAJIRI THERAPEUTICS INC (JP) 2023-09-27 — — 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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