SCHEMBL11035331

SCHEMBL11035331

O=C1CN(C(=O)CCl)c2ccccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 1.00
CASP2 P42575 1/20 1.00
HTT P42858 3/20 0.62
ALDH1A1 P00352 6/20 0.62
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 3/20 0.62
LMNA P02545 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MITF O75030 1/20 0.61
S1PR4 O95977 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
S1PR1 P21453 1/20 0.61
PAX8 Q06710 1/20 0.61
MEN1 O00255 2/20 0.60
GAA P10253 2/20 0.60
PKM P14618 1/20 0.60
MAPK1 P28482 2/20 0.58
NPC1 O15118 1/20 0.58

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
SCHEMBL25430532 0.86 CASP3 (0.76) CASP3CASP2HTTALDH1A1KMT2A
SCHEMBL30516491 0.84 CASP3 (0.72) CASP3CASP2HTTALDH1A1KMT2A
SCHEMBL24335866 0.84 CASP3 (0.72) CASP3CASP2HTTALDH1A1KMT2A
SCHEMBL24335146 0.84 CASP3 (0.72) CASP3CASP2HTTALDH1A1KMT2A
SCHEMBL24335274 0.84 CASP3 (0.72) CASP3CASP2HTTALDH1A1KMT2A
SCHEMBL2920986 0.83 CASP3 (0.70) CASP3CASP2HTTALDH1A1KMT2A
SCHEMBL30516492 0.82 CASP3 (0.70) CASP3CASP2HTTALDH1A1KMT2A
SCHEMBL29064837 0.82 CASP3 (0.70) CASP3CASP2HTTALDH1A1KMT2A
SCHEMBL24335540 0.81 CASP3 (0.68) CASP3CASP2HTTALDH1A1KMT2A
SCHEMBL24335266 0.81 CASP3 (0.68) CASP3CASP2HTTALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59141592-A None JP disclosed
JP-S59141592-A 1,2,3,4-TETRAHYDRO-2-QUINOXALONE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1984-08-14 JP disclosed