SCHEMBL4004231

SCHEMBL4004231

O=C(Nc1ccc2c(=O)n(I)ccc2c1)c1cccnc1Sc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 2/20 0.46
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 6/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 2/20 0.41
GRM4 Q14833 2/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL4003758 0.80 ROCK2 (0.51) SMN1; SMN2ATMALDH1A1KMT2ALMNA
SCHEMBL4009843 0.71 SMN1; SMN2 (0.49) SMN1; SMN2ATMALDH1A1KMT2ALMNA
SCHEMBL12421965 0.67 KMT2A (0.46) SMN1; SMN2ATMALDH1A1KMT2ALMNA
SCHEMBL2297391 0.67 ATM (0.44) SMN1; SMN2ATMALDH1A1KMT2ALMNA
SCHEMBL2291129 0.67 ATM (0.44) SMN1; SMN2ATMALDH1A1KMT2ALMNA
SCHEMBL3998435 0.67 ROCK2 (0.53)
SCHEMBL12420935 0.66 ATM (0.43) SMN1; SMN2ATMALDH1A1KMT2ALMNA
SCHEMBL2295833 0.66 ALDH1A1 (0.74) SMN1; SMN2ATMALDH1A1KMT2AKDM4E
SCHEMBL5280599 0.65 SMN1; SMN2 (0.43) SMN1; SMN2ATMALDH1A1KMT2ALMNA
Hydrochloric Acid SCHEMBL7110024 0.64 ALDH1A1 (0.77) SMN1; SMN2ATMALDH1A1KMT2AKDM4E

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
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP claimed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO claimed
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP disclosed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO disclosed