SCHEMBL2853182

SCHEMBL2853182

O=C(Nc1ccc(F)c(F)c1F)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
GPR6 P46095 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 1/20 0.39
TRPC1 P48995 1/20 0.38
TRPC3 Q13507 1/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
STIM2 Q9P246 1/20 0.38
P2RX7 Q99572 1/20 0.37
CCR1 P32246 3/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX2 P34913 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PDK2 Q15119 1/20 0.35

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 0.88 P2RX7 (0.44) MAPTLMNAP2RX7POLBALDH1A1
SCHEMBL2848541 0.88 RAB9A (0.43) MAPTGPR6ACHELMNAP2RX7
SCHEMBL2857353 0.87 CCR1 (0.47) MAPTGPR6ACHEP2RX7CCR1
SCHEMBL2854533 0.86 MEN1 (0.46) MAPTGPR6ACHELMNATRPC1
SCHEMBL2857550 0.86 TMPRSS4 (0.45) MAPTGPR6ACHEORAI1P2RX7
SCHEMBL2852244 0.85 MAPT (0.48) MAPTGPR6ACHETRPC1TRPC3
SCHEMBL2852552 0.84 MEN1 (0.51) MAPTGPR6ACHEP2RX7SMN1; SMN2
SCHEMBL2856901 0.84 MAPT (0.40) MAPTGPR6ACHELMNAP2RX7
SCHEMBL2853465 0.84 RAB9A (0.44) MAPTGPR6ACHELMNATRPC1
SCHEMBL2853154 0.83 MAPT (0.44) MAPTGPR6ACHELMNATRPC1

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