SCHEMBL4001880

SCHEMBL4001880

O=Cc1cccn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
ALDH1A1 P00352 6/20 0.58
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 2/20 0.45
PKM P14618 1/20 0.42
GAA P10253 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
MCL1 Q07820 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL25286936 0.84 ATM (0.62) ATMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL4004092 0.83 ATM (0.45) ATMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL4004085 0.83 ATM (0.45) ATMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL6052462 0.81 ATM (0.69) ATMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL1418969 0.80 ALDH1A1 (0.65) ATMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL1127259 0.79 ATM (1.00) ATMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL6634976 0.78 ATM (0.69) ATMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL3211700 0.78 ATM (0.69) ATMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL28802548 0.78 ATM (0.69) ATMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL25240419 0.78 ATM (0.69) ATMALDH1A1L3MBTL1CYP1A2POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009074157-A1 FULLY-MODIFIED PHENYL PYRROLE AMINOGUANIDINES ACTION PHARMA A/S (DK) 2009-06-18 WO disclosed
WO-2009071101-A1 N-MODIFIED AMINOGUANIDINE DERIVATIVES ACTION PHARMA A/S (DK) 2009-06-11 WO disclosed