SCHEMBL5168296

SCHEMBL5168296

Cc1cc(C)n2c(NC3CCCCC3)c(-c3ccc(OC(=O)O)o3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
GAA P10253 3/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
ALOX5 P09917 7/20 0.38
ATM Q13315 4/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GFER P55789 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
TP53 P04637 1/20 0.36
BACE1 P56817 1/20 0.36
ADORA1 P30542 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
SCHEMBL5168288 0.86 PKM (0.47) PKMGAAALDH1A1TSHRLMNA
SCHEMBL5168212 0.85 ALOX5 (0.57) PKMGAAALDH1A1TSHRLMNA
SCHEMBL6651344 0.82 CREBBP (0.42) PKMGAAALDH1A1MAPTKDM4E
SCHEMBL6750634 0.81 PKM (0.43) PKMGAAALDH1A1TSHRLMNA
SCHEMBL5168253 0.79 RAB9A (0.33) PKMLMNAMAPTKDM4E
SCHEMBL5169250 0.79 PKM (0.46) PKMGAAALDH1A1TSHRLMNA
SCHEMBL5165259 0.77 PRKAB2 (0.47) PKMGAAALDH1A1TSHRLMNA
Hydrochloric Acid SCHEMBL5166826 0.76 PKM (0.47) PKMGAAALDH1A1TSHRLMNA
SCHEMBL5166144 0.76 ADORA1 (0.57) GAAALDH1A1LMNAALOX5MAPT
Hydrochloric Acid SCHEMBL5168210 0.73 RAB9A (0.44) PKMGAAALDH1A1TSHRLMNA

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-1326613-B2 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 GRUENENTHAL GMBH (DE) 2007-04-18 EP disclosed
EP-1326613-B1 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 GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed
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