SCHEMBL2854626

SCHEMBL2854626

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
GPR6 P46095 1/20 0.38
ACHE P22303 1/20 0.38
P2RX7 Q99572 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
TRPC3 Q13507 2/20 0.36
ORAI1 Q96D31 2/20 0.36
TRPC1 P48995 1/20 0.36
STIM1 Q13586 1/20 0.36
STIM2 Q9P246 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BRAF P15056 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CCR1 P32246 4/20 0.34
PDK2 Q15119 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 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
SCHEMBL2854992 0.85 L3MBTL1 (0.43) MAPTGPR6ACHESMN1; SMN2ALDH1A1
SCHEMBL2861609 0.85 MAPT (0.38) MAPTGPR6ACHEP2RX7SMN1; SMN2
SCHEMBL2852244 0.85 MAPT (0.48) MAPTGPR6ACHESMN1; SMN2POLB
SCHEMBL2850712 0.83 MAPT (0.41) MAPTGPR6ACHEP2RX7SMN1; SMN2
SCHEMBL2860795 0.82 KMT2A (0.46) MAPTGPR6ACHESMN1; SMN2POLB
SCHEMBL2860252 0.82 MAPT (0.39) MAPTGPR6ACHESMN1; SMN2POLB
SCHEMBL2854489 0.82 PTGS1 (0.43) MAPTGPR6POLBNPC1RAB9A
SCHEMBL2850864 0.82 MAPT (0.41) MAPTGPR6ACHEP2RX7SMN1; SMN2
SCHEMBL2848317 0.82 MAPT (0.46) MAPTGPR6ACHESMN1; SMN2POLB
SCHEMBL2853065 0.81 NR3C1 (0.46) MAPTSMN1; SMN2TRPC3ORAI1TRPC1

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