SCHEMBL2858063

SCHEMBL2858063

O=C(Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GPR6 P46095 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
ACHE P22303 1/20 0.43
P2RX7 Q99572 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
ORAI1 Q96D31 2/20 0.41
TRPC3 Q13507 2/20 0.41
TRPC1 P48995 1/20 0.41
STIM1 Q13586 1/20 0.41
STIM2 Q9P246 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL2854169 0.92 MAPT (0.56) MAPTNPC1RAB9ANPSR1POLB
SCHEMBL2855981 0.91 MAPT (0.60) MAPTNPC1RAB9ANPSR1TRPV1
SCHEMBL2852152 0.89 MAPT (0.56) MAPTNPC1RAB9ANPSR1KDM4E
SCHEMBL2857105 0.89 MAPT (0.56) MAPTNPC1RAB9ANPSR1POLB
SCHEMBL2850518 0.88 MAPT (0.48) MAPTNPC1RAB9ANPSR1POLB
SCHEMBL2850404 0.88 KMT2A (0.52) MAPTNPC1RAB9ANPSR1POLB
SCHEMBL2860712 0.87 MAPT (0.47) MAPTNPC1RAB9ANPSR1POLB
SCHEMBL2880891 0.86 CNR1 (0.54) MAPTNPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL2858205 0.86 RAB9A (0.49) MAPTNPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL2854401 0.86 RAB9A (0.46) MAPTNPC1RAB9ANPSR1SMN1; 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 disclosed