SCHEMBL2861576

SCHEMBL2861576

O=C(Nc1ccc(-c2ccccc2)cc1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 2/20 0.43
MET P08581 1/20 0.42
AXL P30530 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NR3C1 P04150 3/20 0.41
ORAI1 Q96D31 2/20 0.41
TRPC1 P48995 1/20 0.41
TRPC3 Q13507 1/20 0.41
STIM1 Q13586 1/20 0.41
STIM2 Q9P246 1/20 0.41
CNR1 P21554 2/20 0.40
NPC1 O15118 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL2860975 0.94 MAPT (0.49) MAPTSMN1; SMN2NPSR1ATMPOLB
SCHEMBL2848317 0.94 MAPT (0.46) MAPTSMN1; SMN2NPSR1ATMPOLB
SCHEMBL2852244 0.93 MAPT (0.48) MAPTSMN1; SMN2NPSR1ATMPOLB
SCHEMBL2853065 0.89 NR3C1 (0.46) MAPTSMN1; SMN2NPSR1ATMALDH1A1
SCHEMBL2850524 0.86 MAPT (0.43) MAPTSMN1; SMN2NPSR1ATMMET
SCHEMBL2854874 0.86 ATM (0.45) MAPTSMN1; SMN2NPSR1ATMPOLB
SCHEMBL2850725 0.86 MAPT (0.54) MAPTSMN1; SMN2NPSR1POLBMET
SCHEMBL2848538 0.86 MAPT (0.45) MAPTSMN1; SMN2NPSR1ATMNR3C1
SCHEMBL2858533 0.86 ATM (0.47) MAPTSMN1; SMN2NPSR1ATMMET
SCHEMBL2859102 0.86 MAPT (0.45) MAPTSMN1; SMN2NPSR1ATMORAI1

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