SCHEMBL2858155

SCHEMBL2858155

O=C(Nc1ccc(F)cc1F)Oc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
P2RX7 Q99572 1/20 0.45
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
P2RY1 P47900 1/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
TSHR P16473 1/20 0.38
SPR P35270 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
SCHEMBL2858182 0.94 P2RX7 (0.44) POLBP2RX7ALDH1A1LMNANPC1
SCHEMBL2854269 0.84 RAB9A (0.46) POLBP2RX7ALDH1A1GAALMNA
SCHEMBL2852361 0.83 KDM4E (0.47) POLBP2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL2860986 0.83 MAPT (0.45) POLBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2854516 0.83 P2RX7 (0.46) POLBP2RX7ALDH1A1GAASMN1; SMN2
SCHEMBL2850871 0.82 NPC1 (0.51) POLBALDH1A1GAALMNAHTT
SCHEMBL2852121 0.82 P2RX7 (0.43) P2RX7SMN1; SMN2RAB9AMAPTNPSR1
SCHEMBL2852799 0.81 ALDH1A1 (0.46) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2853182 0.81 MAPT (0.42) POLBP2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL2848541 0.81 RAB9A (0.43) POLBP2RX7ALDH1A1LMNASMN1; SMN2

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