SCHEMBL4744549

SCHEMBL4744549

O=C(Oc1ccc(CC(=O)c2cccnc2)cc1)Oc1ccc(CC(=O)c2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.54
ATM Q13315 1/20 0.51
LMNA P02545 2/20 0.51
PLOD2 O00469 2/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
PLOD3 O60568 1/20 0.49
PLOD1 Q02809 1/20 0.49
THRB P10828 2/20 0.48
CYP3A4 P08684 1/20 0.47
RAB9A P51151 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL4744551 0.90 KMT2A (0.53) KMT2AATMLMNAPLOD2MAPT
SCHEMBL4745216 0.88 THRB (0.50) KMT2AATMLMNAPLOD2MAPT
SCHEMBL31326709 0.85 KDM4E (0.64) KMT2ALMNAPLOD2MAPTKDM4E
SCHEMBL10664827 0.85 KDM4E (0.64) KMT2ALMNAPLOD2MAPTKDM4E
SCHEMBL4787680 0.84 THRB (0.46) KMT2AATMLMNAPLOD2MAPT
SCHEMBL9310930 0.82 PLOD2 (0.50) KMT2ALMNAPLOD2MAPTKDM4E
SCHEMBL4744539 0.81 PLOD2 (0.56) KMT2ALMNAPLOD2KDM4EALDH1A1
SCHEMBL3059074 0.81 PLOD2 (0.59) KMT2ALMNAPLOD2KDM4EALDH1A1
SCHEMBL360711 0.81 PLOD2 (0.69) KMT2ALMNAPLOD2MAPTKDM4E
SCHEMBL9312108 0.81 RAB9A (0.51) KMT2ALMNAPLOD2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008115141-A1 4, 5-DIHYDRO-1,3-THIAZOL-2-AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-09-25 WO disclosed