SCHEMBL9689671

SCHEMBL9689671

CNCCn1cnc2ccccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ POLB P06746 4/20 0.55
▸ THRB P10828 1/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CYP3A4 P08684 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ TP53 P04637 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53

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
SCHEMBL12963436 0.85 LMNA (0.55) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12933423 0.84 POLB (0.53) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL19049515 0.83 LMNA (0.61) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL24166129 0.80 TNF (0.58) POLBLMNARAB9AMAPT
SCHEMBL30656816 0.80 TNF (0.58) POLBLMNARAB9AMAPT
SCHEMBL28069319 0.80 CYP1A2 (0.64) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL875704 0.80 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL874574 0.80 CYP1A2 (0.59) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28866778 0.80 CYP2C9 (0.59) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30089495 0.80 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
US-5114952-A Side effect reduction PFIZER INC. (US) 1992-05-19 — — US disclosed
US-4990509-A Sulfonamide anti-arrhythmic agents PFIZER INC. (US) 1991-02-05 — — US disclosed
US-4863948-A Isoindolinone sulfonamide anti-arrhythmic agents PFIZER, INC. (US) 1989-09-05 — — US disclosed
EP-0242173-A1 Antiarrhythmic agents Pfizer Limited (GB) 1987-10-21 — — EP disclosed
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