SCHEMBL29819690

SCHEMBL29819690

Cc1ccc(CNC(=O)c2nccnn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ HPGD P15428 4/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MMP2 P08253 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ MAPK14 Q16539 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ NAMPT P43490 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
SCHEMBL23521860 1.00 KMT2A (0.61) KMT2ASMN1; SMN2HPGDL3MBTL1ALDH1A1
SCHEMBL28931232 0.88 KMT2A (0.47) KMT2ASMN1; SMN2HPGDL3MBTL1ALDH1A1
SCHEMBL28931229 0.87 L3MBTL1 (0.56) KMT2ASMN1; SMN2L3MBTL1MAPTCYP3A4
SCHEMBL29536120 0.87 L3MBTL1 (0.56) KMT2ASMN1; SMN2L3MBTL1MAPTCYP3A4
SCHEMBL23521747 0.87 CYP2C19 (0.58) KMT2ASMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL29808056 0.87 CYP2C19 (0.58) KMT2ASMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL23521924 0.86 KMT2A (0.55) KMT2ASMN1; SMN2L3MBTL1ALDH1A1HTT
SCHEMBL29808051 0.86 KMT2A (0.55) KMT2ASMN1; SMN2L3MBTL1ALDH1A1HTT
SCHEMBL28675585 0.86 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1ALDH1A1HTTMMP2
SCHEMBL29537243 0.86 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1ALDH1A1HTTMMP2

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