SCHEMBL28931229

SCHEMBL28931229

O=C(NCc1ccc(F)cc1)c1nccnn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ KMT2A Q03164 4/20 0.51
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ LMNA P02545 5/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL29536120 1.00 L3MBTL1 (0.56) L3MBTL1KMT2ACYP1A2CYP2C19LMNA
SCHEMBL29819690 0.87 KMT2A (0.61) L3MBTL1KMT2ASMN1; SMN2CYP3A4MAPK14
SCHEMBL28931232 0.87 KMT2A (0.47) L3MBTL1KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL23521860 0.87 KMT2A (0.61) L3MBTL1KMT2ASMN1; SMN2CYP3A4MAPK14
SCHEMBL29808056 0.85 CYP2C19 (0.58) KMT2ACYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL23521747 0.85 CYP2C19 (0.58) KMT2ACYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL23521924 0.85 KMT2A (0.55) L3MBTL1KMT2ALMNASMN1; SMN2
SCHEMBL29537243 0.85 SMN1; SMN2 (0.57) L3MBTL1LMNASMN1; SMN2CYP3A4MAPK14
SCHEMBL29808051 0.85 KMT2A (0.55) L3MBTL1KMT2ALMNASMN1; SMN2
SCHEMBL28675585 0.85 SMN1; SMN2 (0.57) L3MBTL1LMNASMN1; SMN2CYP3A4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874375-A Cyclic amide compounds and methods thereof for the treatment of rabies 株式会社大分大学先端医学研究所 2021-12-31 — — CN disclosed
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