SCHEMBL10036151

SCHEMBL10036151

O=[N+]([O-])c1ccc(Cl)c(OCCF)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
MAPT P10636 5/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SNCA P37840 1/20 0.47
VCAM1 P19320 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL3538406 0.86 HSD17B10 (0.53) HSD17B10MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL4774235 0.84 HSD17B10 (0.51) HSD17B10MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL1663340 0.84 CYP19A1 (0.59) HSD17B10MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL14937641 0.83 MAPT (0.51) HSD17B10MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL2910058 0.83 MAPT (0.54) HSD17B10MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL10036380 0.83 MAPT (0.58) HSD17B10MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL31534614 0.82 RAB9A (0.55) HSD17B10MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21331700 0.82 MAPT (0.60) HSD17B10MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL526474 0.81 TSHR (0.48) MAPTHPGDRAB9ASMN1; SMN2LMNA
SCHEMBL16943506 0.81 ALDH1A1 (0.53) MAPTHPGDRAB9ASMN1; SMN2LMNA

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
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO disclosed