SCHEMBL7675643

SCHEMBL7675643

COc1ccc(Br)cc1-c1ccc2nonc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 3/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.45
AMY1A P0DUB6 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE4B Q07343 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 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
SCHEMBL7614651 0.80 SMN1; SMN2 (0.43) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL31416636 0.79 ENPP2 (0.58) RAB9ANPC1TSHRPOLBMAPT
SCHEMBL7679442 0.77 ENPP2 (0.50) RAB9ANPC1TSHRMEN1KMT2A
SCHEMBL7549540 0.76 RARA (0.56) PDE4B
SCHEMBL1704782 0.76 NPC1 (0.47) RAB9ANPC1TSHRPOLBAMY1A
SCHEMBL6496645 0.75 GAA (0.51) RAB9ANPC1TSHRPOLBAMY1A
SCHEMBL3806314 0.75 CNR2 (0.47) POLBKMT2APDE4BSMN1; SMN2LMNA
SCHEMBL7613276 0.75 CHEK2 (0.51) PDE4B
SCHEMBL28897577 0.73 ENPP2 (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL10039354 0.73 NPC1 (0.48) RAB9ANPC1TSHRPOLBAMY1A

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