SCHEMBL2861609

SCHEMBL2861609

O=C(Nc1cc(O)[nH]n1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
GPR6 P46095 1/20 0.37
ACHE P22303 1/20 0.36
P2RX7 Q99572 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
ORAI1 Q96D31 2/20 0.35
TRPC3 Q13507 2/20 0.35
TRPC1 P48995 1/20 0.35
STIM1 Q13586 1/20 0.35
STIM2 Q9P246 1/20 0.35
POLB P06746 1/20 0.34
CCR1 P32246 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
BRAF P15056 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NR1I2 O75469 1/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL2854626 0.85 MAPT (0.40) MAPTGPR6ACHEP2RX7SMN1; SMN2
SCHEMBL2850712 0.83 MAPT (0.41) MAPTGPR6ACHEP2RX7SMN1; SMN2
SCHEMBL2854992 0.83 L3MBTL1 (0.43) MAPTGPR6ACHESMN1; SMN2ALDH1A1
SCHEMBL2852244 0.82 MAPT (0.48) MAPTGPR6ACHESMN1; SMN2NPSR1
SCHEMBL2850694 0.81 MAPT (0.41) MAPTGPR6ACHEP2RX7SMN1; SMN2
SCHEMBL2854518 0.80 RAB9A (0.46) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL2854489 0.80 PTGS1 (0.43) MAPTGPR6POLBNPC1RAB9A
SCHEMBL2850864 0.80 MAPT (0.41) MAPTGPR6ACHEP2RX7SMN1; SMN2
SCHEMBL2860795 0.80 KMT2A (0.46) MAPTGPR6ACHESMN1; SMN2NPSR1
SCHEMBL2860252 0.80 MAPT (0.39) MAPTGPR6ACHESMN1; SMN2ORAI1

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