SCHEMBL3944952

SCHEMBL3944952

COCCN(C(=O)O)c1ncc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
AGBL2 Q5U5Z8 1/20 0.36
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
BTK Q06187 1/20 0.34
MAPT P10636 1/20 0.33
CRHR1 P34998 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
SLC6A9 P48067 1/20 0.32
LIMK1 P53667 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL3947865 0.83 F2 (0.36) HSD17B10ALDH1A1KDM4EHPGDRAB9A
SCHEMBL3939417 0.69 SSTR4 (0.41) AGBL2HDAC1HDAC6
SCHEMBL16055505 0.67 KMT2A (0.35) HSD17B10ALDH1A1KDM4EHPGDRAB9A
SCHEMBL19086382 0.67 PTK2 (0.43) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL28453095 0.65 AGBL2 (0.39) AGBL2HCAR2L3MBTL1
SCHEMBL3822535 0.65 OXTR (0.43) HSD17B10ALDH1A1KDM4EHPGDRAB9A
SCHEMBL1920711 0.65 GBA1 (0.44) HSD17B10ALDH1A1KDM4EHPGDRAB9A
SCHEMBL10941853 0.64 MEN1 (0.49) HSD17B10ALDH1A1KDM4EHPGDRAB9A
SCHEMBL1396052 0.64 AGBL2 (0.38) ALDH1A1AGBL2RAB9AMAPTKMT2A
SCHEMBL25552302 0.64 AGBL2 (0.33) AGBL2

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-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed