SCHEMBL5244643

SCHEMBL5244643

C=CCCCOc1cc(C(=O)NCC(F)(F)F)ccc1-n1cc(C(=O)NCCCOCC)nn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
NAMPT P43490 1/20 0.35
PLA2G1B P04054 1/20 0.35
PAX8 Q06710 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ACKR3 P25106 1/20 0.35
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
SCHEMBL5244319 0.96 MEN1 (0.36) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL5249178 0.92 SMPD1 (0.34) HPGDALDH1A1KDM4EACKR3
SCHEMBL3116642 0.91 TP53 (0.40) KMT2AMEN1HPGDSMN1; SMN2LMNA
SCHEMBL5244268 0.91 PDK2 (0.35) ACKR3
SCHEMBL5247607 0.91 KMT2A (0.43) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL3111906 0.91 SMPD1 (0.38) ACKR3
SCHEMBL5247629 0.91 DGAT1 (0.34) KMT2AACKR3TP53
SCHEMBL5247451 0.90 SMPD1 (0.34) SMN1; SMN2MAPTACKR3TP53
SCHEMBL5250028 0.90 SMPD1 (0.33) ACKR3TP53
SCHEMBL5244453 0.90 KMT2A (0.41) KMT2AMEN1HPGDSMN1; 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