SCHEMBL22768560

SCHEMBL22768560

COc1nc(C(N)=O)ccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 2/20 0.46
▸ SYK P43405 1/20 0.45
▸ APP P05067 2/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PDCD1LG2 Q9BQ51 4/20 0.35
▸ CD274 Q9NZQ7 4/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ PARP4 Q9UKK3 1/20 0.34

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
SCHEMBL20705833 0.83 SYK (0.37) SYKPOLBPDCD1LG2CD274CA1
SCHEMBL12569462 0.77 PIM1 (0.39) NNMTAPPPIM1PARP10
SCHEMBL5708926 0.77 NNMT (0.50) NNMTSYKSIRT6POLBCDC7
SCHEMBL2688401 0.77 NNMT (0.50) NNMTAPPSIRT6POLBCDC7
SCHEMBL24959363 0.76 APP (0.43) NNMTAPPPIM1
SCHEMBL18305261 0.76 NNMT (0.49) NNMTAPPSIRT6POLBCDC7
SCHEMBL2415642 0.74 PLK1 (0.36) SYKPOLBKDM4E
SCHEMBL22688378 0.73 NNMT (0.46) NNMTAPPSIRT6POLBCDC7
SCHEMBL22842972 0.73 PDCD1LG2 (0.36) SYKPDCD1LG2CD274P2RX3P2RX2
SCHEMBL15091236 0.73 PDCD1LG2 (0.40) SYKPOLBPDCD1LG2CD274P2RX3

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-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 — — WO disclosed
Send feedback