SCHEMBL5245240

SCHEMBL5245240

O=C(NCC(F)(F)F)c1ccc(-n2nnc(C(=O)NCc3cccs3)c2COCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.45
MIF P14174 1/20 0.44
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CPT1A P50416 1/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOA P21397 1/20 0.39
CXCR3 P49682 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR1 P32246 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
SCHEMBL5246308 0.92 RAB9A (0.42) HPGDRAB9ASMN1; SMN2TP53MAPT
SCHEMBL5250048 0.90 EPHX2 (0.46) HPGDMIFRAB9ASMN1; SMN2MEN1
SCHEMBL5244893 0.88 MAPK14 (0.48) RECQLMAOACCR1NAMPT
SCHEMBL5247721 0.87 CCR1 (0.40) HPGDMIFRAB9ASMN1; SMN2TP53
SCHEMBL5248045 0.87 GRM5 (0.43) HPGDMIFSMN1; SMN2MEN1KMT2A
SCHEMBL5244571 0.87 MAOA (0.41) HPGDMIFSMN1; SMN2TP53POLB
SCHEMBL5250501 0.86 KDM4E (0.52) HPGDRAB9ASMN1; SMN2HTT
Trifluoroacetic Acid SCHEMBL5249602 0.86 LMNA (0.43) HPGDSMN1; SMN2HTTCYP3A4MEN1
SCHEMBL5250025 0.86 LOX (0.40) HPGDMIFCYP2D6CYP2C19MEN1
SCHEMBL5244539 0.86 SMO (0.44) HPGDMIFSMN1; SMN2MAPTMEN1

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