SCHEMBL2854533

SCHEMBL2854533

O=C(Nc1ccc(Cl)cc1Cl)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
MAPT P10636 7/20 0.40
P2RX7 Q99572 1/20 0.40
GPR6 P46095 1/20 0.39
PLCG1 P19174 1/20 0.39
ACHE P22303 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 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
SCHEMBL2856901 0.93 MAPT (0.40) MEN1KMT2ALMNAPKMMAPT
SCHEMBL2852552 0.89 MEN1 (0.51) MEN1KMT2APDK1PDK2PDK3
SCHEMBL2850694 0.88 MAPT (0.41) MEN1KMT2ALMNAMAPTP2RX7
SCHEMBL2850809 0.88 MAPT (0.43) KMT2ALMNAMAPTNPSR1SMN1; SMN2
SCHEMBL2853465 0.87 RAB9A (0.44) LMNAMAPTGPR6ACHENPSR1
SCHEMBL2857582 0.87 MAPT (0.42) MEN1KMT2APKMPDK1PDK2
SCHEMBL2858182 0.87 P2RX7 (0.44) LMNAMAPTP2RX7NPSR1CYP1A2
SCHEMBL2860522 0.87 MAPT (0.48) MEN1KMT2AMAPTNPSR1CYP1A2
SCHEMBL2853182 0.86 MAPT (0.42) LMNAPDK2MAPTP2RX7GPR6
SCHEMBL2852244 0.85 MAPT (0.48) MEN1KMT2AMAPTGPR6ACHE

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