SCHEMBL26227380

SCHEMBL26227380

CCc1ccc(C#N)cc1-n1nnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ CCR6 P51684 1/20 0.51
▸ TSHR P16473 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ RECQL P46063 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ KMT2A Q03164 4/20 0.45
▸ KCNMA1 Q12791 1/20 0.44
▸ HIF1A Q16665 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL22942049 0.73 MAPT (0.43) MAPTNPSR1HPGDGAACCR6
SCHEMBL22359797 0.72 MAPT (0.40) MAPTNPSR1HPGDGAACCR6
SCHEMBL21736972 0.71 KCNMA1 (0.48) NPSR1TSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL27303109 0.71 MAPT (0.46) MAPTNPSR1HPGDGAACCR6
SCHEMBL12204504 0.70 SLC9A1 (0.54) TSHRSMN1; SMN2KCNMA1SLC9A1
SCHEMBL12204509 0.70 KCNMA1 (0.47) NPSR1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL23762162 0.70 SLC9A1 (0.49) MAPTNPSR1TSHRSMN1; SMN2KDM4E
SCHEMBL17355083 0.69 NPSR1 (0.54) MAPTNPSR1HPGDGAACCR6
SCHEMBL21467623 0.69 RAB9A (0.46) MAPTNPSR1HPGDTSHRSMN1; SMN2
SCHEMBL13610401 0.69 KDM4E (0.60) MAPTNPSR1HPGDGAACCR6

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
EP-3604308-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2023-09-13 — — EP disclosed
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