SCHEMBL4696293

SCHEMBL4696293

CCc1ccc(C(O)(C=O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
KIF11 P52732 3/20 0.47
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PLK1 P53350 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2J2 P51589 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL863162 0.84 KDM4E (0.44) KMT2AALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL4697916 0.80 NPC1 (0.43) MEN1KMT2AKIF11TP53PLK1
SCHEMBL10839093 0.79 MEN1 (0.49) MEN1KMT2AKIF11ALDH1A1KDM4E
SCHEMBL10140077 0.79 MEN1 (0.56) MEN1KMT2AKIF11TP53ALDH1A1
SCHEMBL15419956 0.76 ESR2 (0.54) KIF11ALDH1A1KDM4ELMNA
SCHEMBL28197407 0.76 CYP1A2 (0.40) KMT2AALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL16316898 0.76 MEN1 (0.53) MEN1KMT2AKIF11TP53ALDH1A1
SCHEMBL811710 0.75 KMT2A (0.45) MEN1KMT2AKIF11ALDH1A1PLK1
SCHEMBL4020288 0.75 KCNN4 (0.53) MEN1KMT2AKIF11ALDH1A1PLK1
SCHEMBL6629671 0.75 KIF11 (0.41) MEN1KMT2AKIF11TP53ALDH1A1

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
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
WO-2008131858-A2 USE OF ACYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 WO disclosed
EP-1966217-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
EP-1966218-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-09-10 EP disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed
WO-2007079862-A1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 WO disclosed