SCHEMBL10823971

SCHEMBL10823971

[c]1scc(-c2cccs2)c1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 6/20 0.48
GAA P10253 3/20 0.48
HPGD P15428 3/20 0.48
GLA P06280 2/20 0.48
HCRTR1 O43613 1/20 0.48
NPC1 O15118 7/20 0.46
RAB9A P51151 6/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 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
SCHEMBL9536952 0.79 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL12004262 0.77 KDM4E (0.59) KDM4ESMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL4252928 0.77 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1GAAHPGD
Bromide SCHEMBL12003693 0.76 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL30596386 0.75 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL36011 0.75 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL5516669 0.74 NPC1 (0.53) KDM4ESMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL5013752 0.73 KDM4E (0.59) KDM4ESMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL30021698 0.73 KDM4E (0.59) KDM4ESMN1; SMN2ALDH1A1GAAHPGD
SCHEMBL3829194 0.73 KDM4E (0.59) KDM4ESMN1; SMN2ALDH1A1GAAHPGD

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-61037705-A None JP disclosed
JP-S6137705-A AGRICULTURAL AND HORTICULTURAL GERMICIDE CONTAINING HETEROALLENE OLIGOMER DERIVATIVE HOKKO CHEM IND CO LTD 1986-02-22 JP disclosed