SCHEMBL22635874

SCHEMBL22635874

O=C1CN(C(=O)Oc2ccc(Cl)nc2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SCN9A Q15858 2/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ LIPE Q05469 1/20 0.38
▸ SCN7A Q01118 3/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.37

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
SCHEMBL22635853 0.86 L3MBTL1 (0.47) L3MBTL1HRH3KMT2AHSP90AA1GAA
SCHEMBL17293693 0.83 ALDH1A1 (0.45) KMT2AGAASMN1; SMN2LMNARAB9A
SCHEMBL30202774 0.77 L3MBTL1 (0.64) L3MBTL1KMT2AGAASMN1; SMN2LMNA
SCHEMBL2106013 0.74 CYP1A2 (0.53) —
SCHEMBL29223607 0.70 SMN1; SMN2 (0.45) L3MBTL1HRH3KMT2AHSP90AA1GAA
SCHEMBL19066133 0.68 ALDH1A1 (0.46) HRH3KMT2AGAASMN1; SMN2KDM4E
SCHEMBL14001959 0.68 KMT2A (0.56) L3MBTL1HRH3KMT2AHSP90AA1GAA
SCHEMBL5744624 0.68 NAPRT (0.48) L3MBTL1LMNARAB9A
SCHEMBL23925146 0.68 L3MBTL1 (0.49) L3MBTL1KMT2AGAASMN1; SMN2KDM4E
SCHEMBL12331457 0.67 KMT2A (0.51) L3MBTL1HRH3KMT2AHSP90AA1GAA

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
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 — — WO disclosed
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