SCHEMBL11571990

SCHEMBL11571990

Cc1nnsc1C(=O)O.Nc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 2/20 0.45
GAA P10253 3/20 0.45
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11571371 0.87 HTT (0.54) MAPTUSP2LMNAHTTATM
SCHEMBL11572773 0.83 HTT (0.51) MAPTUSP2LMNAHTTATM
SCHEMBL7784009 0.80 LMNA (0.51) MAPTUSP2LMNAATMGAA
4-Chloroaniline SCHEMBL11573070 0.79 MAPT (0.57) MAPTUSP2LMNAHTTGAA
SCHEMBL11575800 0.79 POLB (0.49) MAPTUSP2LMNAHTTATM
3-Chloroaniline SCHEMBL11574786 0.78 POLB (0.51) MAPTUSP2LMNAHTTATM
SCHEMBL11574482 0.78 LMNA (0.55) MAPTUSP2LMNAHTTGAA
SCHEMBL11571174 0.78 MAPT (0.52) MAPTUSP2LMNAHTTATM
SCHEMBL452517 0.78
SCHEMBL11570071 0.77 POLB (0.49) MAPTUSP2LMNAHTTGAA

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
US-4177054-A PREEMERGENT AND POSTEMERGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-12-04 US claimed