SCHEMBL2848541

SCHEMBL2848541

O=C(Nc1ccccc1F)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR6 P46095 1/20 0.38
ACHE P22303 1/20 0.38
P2RX7 Q99572 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 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
SCHEMBL2850871 0.91 NPC1 (0.51) RAB9ANPC1NPSR1MAPTSMN1; SMN2
SCHEMBL2852552 0.91 MEN1 (0.51) RAB9ANPC1NPSR1MAPTSMN1; SMN2
SCHEMBL2854596 0.90 TP53 (0.46) NPSR1MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL2859508 0.89 CYP1A2 (0.46) RAB9ANPC1NPSR1MAPTSMN1; SMN2
SCHEMBL2857550 0.88 TMPRSS4 (0.45) RAB9ANPC1NPSR1MAPTALDH1A1
SCHEMBL2858182 0.88 P2RX7 (0.44) RAB9ANPC1NPSR1MAPTPOLB
SCHEMBL2855775 0.88 P2RY1 (0.44) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL2853182 0.88 MAPT (0.42) RAB9ANPC1NPSR1MAPTSMN1; SMN2
SCHEMBL2850610 0.87 MAPT (0.40) MAPTSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL2857353 0.87 CCR1 (0.47) MAPTSMN1; SMN2POLBALDH1A1KDM4E

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed