SCHEMBL3467516

SCHEMBL3467516

Clc1ccc(CSc2nnc(SCc3ccc(Cl)c(Cl)c3)s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.71
ALDH1A1 P00352 5/20 0.59
LMNA P02545 5/20 0.59
MAPT P10636 4/20 0.59
TP53 P04637 2/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TDP1 Q9NUW8 2/20 0.56
TSHR P16473 2/20 0.52
TERT O14746 1/20 0.51
CA1 P00915 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
ABL1 P00519 1/20 0.46
SRC P12931 1/20 0.46

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
SCHEMBL3909238 0.83 L3MBTL1 (0.69) L3MBTL1ALDH1A1MAPTHTTTSHR
SCHEMBL9871889 0.81 ALDH1A1 (0.62) L3MBTL1ALDH1A1LMNAMAPTTP53
SCHEMBL10436938 0.81 ALDH1A1 (0.63) L3MBTL1ALDH1A1LMNAMAPTTP53
SCHEMBL8779333 0.78 ALDH1A1 (0.60) ALDH1A1LMNAMAPTTP53HTT
SCHEMBL3909233 0.77 L3MBTL1 (0.61) L3MBTL1ALDH1A1LMNAMAPTMEN1
SCHEMBL3467663 0.76 CA1 (0.74) L3MBTL1ALDH1A1LMNAMAPTTP53
SCHEMBL3263155 0.70 LMNA (0.72) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL8779340 0.69 CYP1A2 (0.77) ALDH1A1LMNAMAPTHTTMEN1
SCHEMBL6404293 0.68 KDM4E (0.63) ALDH1A1LMNAMAPTHTTMEN1
SCHEMBL9456833 0.67 CYP1A2 (0.59) L3MBTL1ALDH1A1MAPTTP53MEN1

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 claimed