SCHEMBL9669606

SCHEMBL9669606

CCC(=O)c1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 1.00
▸ KMT2A Q03164 4/20 0.72
▸ MAPK1 P28482 2/20 0.68
▸ NPSR1 Q6W5P4 4/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ HTT P42858 2/20 0.67
▸ ADORA1 P30542 2/20 0.66
▸ CNR2 P34972 2/20 0.65
▸ CNR1 P21554 1/20 0.65
▸ LMNA P02545 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61

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
SCHEMBL27827256 0.89 L3MBTL1 (0.80) L3MBTL1KMT2AMAPK1NPSR1MEN1
SCHEMBL17324721 0.85 POLB (0.79) L3MBTL1KMT2AMAPK1NPSR1MEN1
SCHEMBL30049353 0.85 POLB (0.79) L3MBTL1KMT2AMAPK1NPSR1MEN1
SCHEMBL1606606 0.84 LMNA (0.80) L3MBTL1KMT2AMAPK1NPSR1MEN1
SCHEMBL5852445 0.84 NPSR1 (0.81) L3MBTL1KMT2AMAPK1NPSR1MEN1
SCHEMBL16979075 0.84 KMT2A (0.75) L3MBTL1KMT2AMEN1CNR2CNR1
SCHEMBL3865315 0.83 L3MBTL1 (0.71) L3MBTL1KMT2AMAPK1NPSR1MEN1
SCHEMBL27581037 0.82 L3MBTL1 (0.69) L3MBTL1KMT2AMAPK1NPSR1MEN1
SCHEMBL5625905 0.82 ADORA1 (0.78) L3MBTL1KMT2AMAPK1NPSR1MEN1
SCHEMBL20838611 0.82 L3MBTL1 (0.69) L3MBTL1KMT2AMAPK1NPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 — — US disclosed
CN-103420894-A 2- butane-1,4-diketone compounds, preparation method and applications SHANGHAI INST MATERIA MEDICA 2013-12-04 — — CN disclosed
EP-0299973-B1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-06-17 — — EP disclosed
EP-0299973-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1989-01-25 — — EP disclosed
WO-1987006133-A1 ANTHELMINTIC ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-10-22 — — WO disclosed
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