SCHEMBL3467285

SCHEMBL3467285

CSc1cccc(C(=O)NNc2nnc(COc3ccc(Cl)cc3)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 8/20 0.55
MAPT P10636 7/20 0.55
HPGD P15428 6/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.55
APOBEC3G Q9HC16 1/20 0.55
HSD17B10 Q99714 4/20 0.52
ALOX15 P16050 3/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 2/20 0.50
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
HPN P05981 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL3467614 0.78 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL3468399 0.75 RAB9A (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL3476631 0.74 KMT2A (0.45) RAB9ANPC1ALDH1A1HPGDKMT2A
SCHEMBL11679404 0.74 PTGS2 (0.61) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL3468757 0.74 ALDH1A1 (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL3467903 0.72 KMT2A (0.69) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL14966349 0.72 RAB9A (1.00) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL3472921 0.71 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL3466740 0.70 NPC1 (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL14970882 0.70 KMT2A (0.72) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT

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