SCHEMBL7083359

SCHEMBL7083359

Cc1cc(C)n2c(NC3CCCCC3)c(-c3ccoc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.48
ADORA1 P30542 1/20 0.47
ALDH1A1 P00352 6/20 0.47
GAA P10253 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
GFER P55789 2/20 0.47
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.43
EPHX2 P34913 1/20 0.42
BRD4 O60885 1/20 0.42
PABPC1 P11940 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Hydrochloric Acid SCHEMBL5169512 0.99 ALOX5 (0.47) ALOX5ADORA1ALDH1A1GAASMN1; SMN2
SCHEMBL7083935 0.99 ALOX5 (0.49) ALOX5ADORA1ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL5166124 0.98 ALOX5 (0.48) ALOX5ADORA1ALDH1A1GAASMN1; SMN2
SCHEMBL5166144 0.84 ADORA1 (0.57) ALOX5ADORA1ALDH1A1GAASMN1; SMN2
SCHEMBL5165614 0.83 GAA (0.67) ALOX5ADORA1ALDH1A1GAASMN1; SMN2
SCHEMBL2988604 0.83 ALOX5 (0.72) ALOX5ADORA1ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL5167299 0.82 GAA (0.65) ALOX5ADORA1ALDH1A1GAASMN1; SMN2
SCHEMBL5165259 0.81 PRKAB2 (0.47) ALOX5ADORA1ALDH1A1GAASMN1; SMN2
SCHEMBL5168292 0.80 PABPC1 (0.66) ALOX5ADORA1ALDH1A1GAASMN1; SMN2
SCHEMBL5166137 0.78 ALDH1A1 (0.49) ALOX5ADORA1ALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP disclosed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO disclosed