SCHEMBL8143138

SCHEMBL8143138

COC(=O)c1sc2cccc(C#N)c2c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.57
ALDH1A1 P00352 11/20 0.57
HPGD P15428 5/20 0.57
GAA P10253 5/20 0.57
MAPT P10636 5/20 0.57
GLA P06280 4/20 0.57
HSD17B10 Q99714 4/20 0.57
ALOX15 P16050 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
MAPK1 P28482 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
NCOA1 Q15788 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
SCHEMBL7218005 0.80 KDM4E (0.60) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4343748 0.80 ALDH1A1 (0.73) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL2748825 0.80 ALDH1A1 (0.73) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL8886947 0.78 KDM4E (0.55) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL8242765 0.78 ALDH1A1 (0.57) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL8138212 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL24853492 0.77 ALDH1A1 (0.56) KDM4EALDH1A1HPGDGAAMAPT
Isonicotinonitrile SCHEMBL14975424 0.76 ALDH1A1 (0.57) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL6809479 0.74 POLB (0.42) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL1101766 0.73 KDM4E (1.00) KDM4EALDH1A1HPGDGAAMAPT

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
EP-0808318-B1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2000-06-28 EP disclosed
US-5597823-A TREATING BENIGN PROSTATIC HYPERPLASIA ABBOTT LABORATORIES (US) 1997-01-28 US disclosed