SCHEMBL13636581

SCHEMBL13636581

Nc1ccc2c(c1)C(=O)CC1(CCNCC1)S2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
BLM P54132 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
APAF1 O14727 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13339965 0.83 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4388135 0.83 MAPT (0.35) MAPTALDH1A1
SCHEMBL13339864 0.83 PARP10 (0.35) MEN1KMT2A
SCHEMBL13339934 0.83 VHL (0.44) MEN1MAPTKMT2ATDP1GAA
Hydrochloric Acid SCHEMBL3495210 0.82 PARP10 (0.34) MEN1KMT2A
Hydrochloric Acid SCHEMBL3491868 0.82 VHL (0.43) MEN1MAPTKMT2ATDP1GAA
Hydrochloric Acid SCHEMBL3494767 0.82 MAPT (0.34) MAPTALDH1A1
Hydrochloric Acid SCHEMBL3494673 0.82 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL13339874 0.81 HTR2A (0.38) MAPTKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3493376 0.80 HTR2A (0.38) MAPTKDM4EALDH1A1SMN1; SMN2

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-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed