SCHEMBL3466740

SCHEMBL3466740

O=C(NNc1nnc(COc2ccc(Cl)cc2)s1)c1cc(F)ccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 7/20 0.52
MAPT P10636 7/20 0.52
HPGD P15428 6/20 0.52
HSD17B10 Q99714 4/20 0.52
ALOX15 P16050 3/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
PTPRE P23469 1/20 0.44
USP2 O75604 1/20 0.42

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
SCHEMBL3477650 0.78 POLB (0.42) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL3468757 0.75 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3468399 0.75 RAB9A (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5446202 0.74 MAPT (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3472921 0.72 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3467614 0.71 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3467285 0.70 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3468120 0.70 L3MBTL1 (0.43) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL25153673 0.70 ALDH1A1 (0.52) ALDH1A1MAPTHPGDHSD17B10ALOX15
SCHEMBL30282820 0.70 ALDH1A1 (0.52) ALDH1A1MAPTHPGDHSD17B10ALOX15

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-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed