SCHEMBL7679442

SCHEMBL7679442

Oc1ccc(Br)cc1-c1ccc2nonc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.50
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 2/20 0.40
MCL1 Q07820 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 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
SCHEMBL7438020 0.78 TDO2 (0.53) ENPP2TDO2HPGDKMT2ASMN1; SMN2
SCHEMBL7675643 0.77 RAB9A (0.49) ENPP2TDO2MAPTLMNAKDM4E
SCHEMBL28897577 0.77 ENPP2 (0.47) ENPP2IDO1TDO2MAPK1KMT2A
SCHEMBL298552 0.76 ENPP2 (0.54) ENPP2IDO1TDO2MAPK1HTT
SCHEMBL7440814 0.72 ENPP2 (0.52) ENPP2IDO1TDO2
SCHEMBL3078778 0.72 ENPP2 (0.58) ENPP2TDO2KDM4EMAPK1ALOX15
SCHEMBL27991140 0.70 ALOX15 (0.62) IDO1HPGDMAPTLMNAKDM4E
SCHEMBL8743338 0.70 ALOX15 (0.62) IDO1HPGDMAPTLMNAKDM4E
SCHEMBL4014407 0.69 ENPP2 (0.43) ENPP2TDO2HPGDMAPTLMNA
SCHEMBL4014202 0.69 ENPP2 (0.43) ENPP2TDO2MAPTMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410547-B1 (4-OXY-3-(ARYL)PHENYL)PYRIDINE FOR TREATMENT, PROPHYLAXIS OF INFLAMMATION, ESP. INFLAMMATORY OR OBSTRUCTIVE DISEASES OF THE AIRWAYS, E.G. FOR ASTHMA THERAPY; INHIBITORS OF PDE 4 ISOENZYME; DOWN REGULATE OR INHIBIT TNF-ALPHA RELEASE NOVARTIS AG (CH) 2002-06-25 US disclosed
US-6258843-B1 DRUGS AS ENZYME INHIBITORS NOVARTIS AG (CH) 2001-07-10 US disclosed
US-6090817-A Phenylpyridine derivatives useful as phosphodiesterase inhibitors NOVARTIS AG (CH) 2000-07-18 US disclosed