SCHEMBL30585735

SCHEMBL30585735

NC(=O)c1ncccn1.O=C(O)N1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ GNE Q9Y223 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CDK19 Q9BWU1 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL158178 0.78 — —
SCHEMBL29086062 0.77 GPR119 (0.53) KMT2AMEN1POLBHPGD
SCHEMBL27431959 0.76 P2RX7 (0.52) P2RX7KDM4EALDH1A1TDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL17104818 0.76 P2RX7 (0.52) P2RX7KDM4EALDH1A1TDP1L3MBTL1
Bromide SCHEMBL10718877 0.76 P2RX7 (0.52) P2RX7KDM4EALDH1A1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL25337662 0.76 P2RX7 (0.52) P2RX7KDM4EALDH1A1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL27440453 0.76 P2RX7 (0.52) P2RX7KDM4EALDH1A1TDP1L3MBTL1
Benzene SCHEMBL28844426 0.76 ALDH1A1 (0.46) ALDH1A1TDP1KMT2AMEN1HPGD
Benzamide SCHEMBL29730678 0.74 POLB (0.61) ALDH1A1TDP1L3MBTL1KMT2AMEN1
SCHEMBL3076557 0.74 KDM4E (0.56) KDM4EALDH1A1TDP1L3MBTL1KMT2A

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-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 — — CN disclosed
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