SCHEMBL11227313

SCHEMBL11227313

COCc1ncc(OC)nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
S1PR4 O95977 1/20 0.32
PDCD1 Q15116 3/20 0.31
CD274 Q9NZQ7 3/20 0.31
AGXT P21549 1/20 0.31
PDE10A Q9Y233 3/20 0.31
OXTR P30559 1/20 0.30
AVPR1A P37288 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SIRT6 Q8N6T7 1/20 0.30

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
SCHEMBL6056960 0.83 KDM4E (0.35) PDCD1CD274MEN1KMT2ASIRT6
SCHEMBL6056988 0.83 ALDH1A1 (0.36) PDCD1CD274MEN1KMT2ASIRT6
SCHEMBL29299460 0.72 ALDH1A1 (0.33) MEN1KMT2ASIRT6
SCHEMBL11223761 0.72 SIRT6 (0.33) PDCD1CD274PDE10AOXTRKMT2A
SCHEMBL35211616 0.71 CHRNB2 (0.33) SIRT6
SCHEMBL11216401 0.70 CCR4 (0.35) LMNAOXTRMEN1KMT2A
SCHEMBL22971348 0.70 HDAC1 (0.34) LMNAS1PR4
SCHEMBL11222083 0.68 POLB (0.36) PDCD1CD274KMT2ASIRT6
SCHEMBL27677660 0.68 NNMT (0.35) MEN1KMT2ASIRT6
SCHEMBL6056985 0.68 PDCD1 (0.38) PDCD1CD274MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4343802-A ADRENERGIC BLOCKING, ANTIARRYHYTHMIA, AND CARDIOTONIC AGENTS MERCK, SHARP & DOHME (I.A.) CORP. (US) 1982-08-10 US disclosed
US-4193995-A B-ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORP. (US) 1980-03-18 US disclosed
US-4042586-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1977-08-16 US disclosed
US-3946009-A ADRENERGIC BLOCKING AGENTS MERCK SHARP & DOHME (I.A.) CORPORATION (US) 1976-03-23 US disclosed