SCHEMBL27361704

SCHEMBL27361704

N#C[C@H](C(=O)c1ccc(F)cc1)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.58
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
GAA P10253 1/20 0.53
TACR3 P29371 1/20 0.47
RAB9A P51151 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 3/20 0.43
LMNA P02545 3/20 0.43
ALPG P10696 2/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.42
HSD17B10 Q99714 1/20 0.42
AGTR1 P30556 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL8836716 1.00 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL8836081 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL783597 0.77 KMT2A (0.63) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL4361229 0.75 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL19668743 0.75 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL6176444 0.75 LTA4H (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL7199609 0.74 LMNA (0.60) ALDH1A1SMN1; SMN2KMT2ARAB9AHPGD
SCHEMBL8836116 0.73 POLB (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL27380660 0.73 POLB (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8836398 0.73 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2KMT2ATACR3HPGD

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
CN-1075965-A New Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1993-09-08 CN disclosed
CN-1070404-A New Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1993-03-31 CN disclosed