SCHEMBL5244292

SCHEMBL5244292

CCOCCNC(=O)c1nnn(-c2ccc(C(=O)NCC(F)(F)F)cc2)c1CCCCCF

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NAMPT P43490 3/20 0.35
DGAT1 O75907 1/20 0.35
MLYCD O95822 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL5247428 0.97 HPGD (0.44) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3113751 0.92 HPGD (0.41) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5246507 0.92 ALDH1A1 (0.34) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5247123 0.88 NPC1 (0.45) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3104271 0.88 CYP1A2 (0.38) HPGDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5246279 0.88 RAB9A (0.40) HPGDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5245108 0.88 NPC1 (0.37) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3106801 0.88 HDAC4 (0.35) HPGDNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3118432 0.87 L3MBTL1 (0.43) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3112810 0.87 MLYCD (0.36) HPGDNPC1RAB9ASMN1; SMN2L3MBTL1

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
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP disclosed