SCHEMBL4716508

SCHEMBL4716508

CC(=O)c1cccc(C#N)c1N

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
ALDH1A1 P00352 4/20 0.40
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
G6PD P11413 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36

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
SCHEMBL960589 0.83 G6PD (0.55) NOTUMALDH1A1POLBLMNAKDM4E
SCHEMBL959392 0.83 NPC1 (0.44) ALDH1A1RAB9AKDM4EMAPTTSHR
SCHEMBL28609729 0.81 TSHR (0.36) NOTUMALDH1A1POLBLMNAKDM4E
SCHEMBL12765017 0.81 ALDH1A1 (0.51) ALDH1A1POLBLMNAKDM4ESMN1; SMN2
SCHEMBL180961 0.80 ALDH1A1 (0.48) ALDH1A1GALR3RAB9APOLBLMNA
SCHEMBL3498784 0.80 G6PD (0.46) ALDH1A1RAB9ALMNAKDM4ESMN1; SMN2
SCHEMBL11113016 0.79 CXCR2 (0.44) NOTUMALDH1A1GALR3RAB9APOLB
SCHEMBL9522265 0.79 MAPT (0.44) NOTUMALDH1A1GALR3RAB9APOLB
SCHEMBL30148729 0.79 MAPT (0.44) NOTUMALDH1A1GALR3RAB9APOLB
SCHEMBL1449117 0.78 POLB (0.42) NOTUMALDH1A1GALR3RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784186-A4 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORP (US) 2008-05-14 EP disclosed
EP-1722797-A4 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-03-19 EP disclosed
EP-1784186-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE Inotek Pharmaceuticals Corporation (US) 2007-05-16 EP disclosed
EP-1722797-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2006-11-22 EP disclosed
WO-2006009718-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2006-01-26 WO disclosed
WO-2005082368-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-09-09 WO disclosed