SCHEMBL7970832

SCHEMBL7970832

Fc1cc(C=Cc2ccnc(F)c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
NR3C1 P04150 1/20 0.43
PPARG P37231 1/20 0.43
NFE2L2 Q16236 4/20 0.41
GRM4 Q14833 2/20 0.40
KDM1A O60341 6/20 0.38
IDO1 P14902 1/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MAP4K4 O95819 1/20 0.33

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
SCHEMBL2879570 0.89 NFE2L2 (0.52) NFE2L2GRM4KDM1AHDAC1HDAC6
SCHEMBL2879571 0.89 NFE2L2 (0.52) NFE2L2GRM4KDM1AHDAC1HDAC6
SCHEMBL27761312 0.87 NR3C1 (0.40) LOXL2NR3C1PPARGNFE2L2GRM4
SCHEMBL12185927 0.86 KDM1A (0.55) LOXL2GRM4KDM1AMAPTNPC1
SCHEMBL16319244 0.83 NFE2L2 (0.56) NFE2L2GRM4NPC1SMN1; SMN2
SCHEMBL16319242 0.83 NFE2L2 (0.56) NFE2L2GRM4NPC1SMN1; SMN2
SCHEMBL7422694 0.82 ENPP2 (0.41) LOXL2NR3C1PPARGGRM4KDM1A
SCHEMBL12955070 0.82 NR3C1 (0.40) LOXL2NR3C1PPARGGRM4KDM1A
SCHEMBL7434021 0.82 ENPP2 (0.41) LOXL2NR3C1PPARGGRM4KDM1A
SCHEMBL2641826 0.82 CYP1A2 (0.61) NFE2L2KDM1AHDAC1HDAC6MAPT

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-6214847-B1 TREATMENT OF COGNITIVE OR NEUROLOGICAL DYSFUNCTION DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed