SCHEMBL442339

SCHEMBL442339

Cc1cc(N)c2ccc(F)cc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.64
NCF1 P14598 1/20 0.59
GNG2 P59768 2/20 0.52
GNB1 P62873 2/20 0.52
MPO P05164 1/20 0.46
MEN1 O00255 1/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACHE P22303 3/20 0.44
TERT O14746 2/20 0.42
DOT1L Q8TEK3 2/20 0.41
POLB P06746 1/20 0.41
BCHE P06276 3/20 0.40

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
SCHEMBL30682591 1.00 NR4A2 (0.64) NR4A2NCF1GNG2GNB1MPO
SCHEMBL439684 0.85 NCF1 (0.59) NR4A2NCF1GNG2GNB1MPO
SCHEMBL14960133 0.81 POLB (0.61) NR4A2MPOMEN1KMT2AALDH1A1
SCHEMBL858917 0.78 MAPT (0.56) NR4A2MPOMEN1KMT2AACHE
SCHEMBL442241 0.78 NR4A2 (0.64) NR4A2NCF1GNG2GNB1MPO
SCHEMBL438119 0.78 NR4A2 (1.00) NR4A2NCF1GNG2GNB1MPO
SCHEMBL3267043 0.78 MPO (0.46) NR4A2MPOALDH1A1HSD17B10ACHE
SCHEMBL10175203 0.76 ALDH1A1 (0.43) NR4A2MPOALDH1A1HSD17B10ACHE
SCHEMBL26390863 0.75 KDM4E (0.45) NR4A2MPOKMT2AALDH1A1HSD17B10
SCHEMBL2608429 0.75 MPO (0.41) NR4A2MPOACHEPOLB

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed