SCHEMBL9687331

SCHEMBL9687331

Nc1ccc(OC(F)(F)C(F)Cl)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.45
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL10497921 0.87 NR4A1 (0.50) NR4A1LMNAALDH1A1TSHRTDP1
SCHEMBL9488751 0.86 LMNA (0.41) NR4A1LMNAPOLBALDH1A1TSHR
SCHEMBL10586066 0.86 LMNA (0.41) NR4A1LMNAPOLBALDH1A1TSHR
Hydrochloric Acid SCHEMBL9527510 0.85 NR4A1 (0.48) NR4A1LMNAALDH1A1TSHRTDP1
SCHEMBL6330297 0.85 POLB (0.43) LMNAPOLBALDH1A1TSHRTDP1
SCHEMBL9860526 0.79 ALDH1A1 (0.39) LMNAPOLBALDH1A1TSHRTDP1
SCHEMBL11687452 0.77 POLB (0.51) LMNAPOLBALDH1A1TSHRCYP3A4
SCHEMBL7753023 0.77 LMNA (0.34) LMNAPOLBALDH1A1ALOX15HSD17B10
SCHEMBL442684 0.77 NR4A1 (0.56) NR4A1LMNAALDH1A1TDP1CYP3A4
SCHEMBL29546263 0.77 NR4A1 (0.56) NR4A1LMNAALDH1A1TDP1CYP3A4

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-0201575-B1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-08-12 EP disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 US disclosed
EP-0201575-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1986-11-20 EP disclosed
WO-1986002646-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 WO disclosed