SCHEMBL5249369

SCHEMBL5249369

O=C(NCC(F)(F)F)c1ccc(-n2nnc(C(=O)NCCCO)c2CCCCCF)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FOLH1 Q04609 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
P2RY14 Q15391 2/20 0.34
OPRD1 P41143 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PDK2 Q15119 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL5244282 0.97 MLYCD (0.38) MLYCDNPC1RAB9ASMN1; SMN2FOLH1
SCHEMBL3106801 0.95 HDAC4 (0.35) MLYCDNPC1RAB9ASMN1; SMN2FOLH1
SCHEMBL5245108 0.92 NPC1 (0.37) MLYCDNPC1RAB9ASMN1; SMN2FOLH1
Hydrochloric Acid SCHEMBL3117680 0.91 MEN1 (0.37) MLYCDNPC1RAB9ASMN1; SMN2FOLH1
SCHEMBL3112810 0.91 MLYCD (0.36) MLYCDNPC1RAB9ASMN1; SMN2FOLH1
SCHEMBL5246507 0.90 ALDH1A1 (0.34) MLYCDNPC1RAB9ASMN1; SMN2FOLH1
SCHEMBL3112218 0.90 RAB9A (0.36) MLYCDNPC1RAB9ASMN1; SMN2FOLH1
SCHEMBL5246279 0.90 RAB9A (0.40) MLYCDNPC1RAB9ASMN1; SMN2FOLH1
SCHEMBL5245660 0.89 MLYCD (0.50) MLYCDNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3113751 0.89 HPGD (0.41) MLYCDNPC1RAB9ASMN1; SMN2ALDH1A1

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