SCHEMBL4004085

SCHEMBL4004085

O=C/C=C/c1cccn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 2/20 0.39
HTT P42858 4/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MITF O75030 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NTSR1 P30989 1/20 0.39
MC4R P32245 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL4004092 1.00 ATM (0.45) ATMALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4001880 0.83 ATM (0.65) ATMALDH1A1MAPTKMT2AMEN1
SCHEMBL12120933 0.82 ATM (0.67) ATMALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4003906 0.81 PKM (0.49) ATMALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL4003909 0.81 PKM (0.49) ATMALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL17537305 0.73 ALDH1A1 (0.35) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL1224353 0.70 CYP1A2 (0.57) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL1922783 0.70 CYP1A2 (0.57) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL25286936 0.69 ATM (0.62) ATMALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL28817910 0.69 ALDH1A1 (0.49) ATMALDH1A1MAPTKMT2ASMN1; 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
WO-2009074157-A1 FULLY-MODIFIED PHENYL PYRROLE AMINOGUANIDINES ACTION PHARMA A/S (DK) 2009-06-18 WO disclosed