SCHEMBL8940197

SCHEMBL8940197

NC(=S)NC(c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.43
CNR1 P21554 3/20 0.42
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 4/20 0.41
ALPL P05186 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM1A O60341 2/20 0.41
MAOB P27338 2/20 0.41
TP53 P04637 1/20 0.39
TYR P14679 1/20 0.39
TSHR P16473 1/20 0.39
TAS2R38 P59533 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4355726 0.90 LMNA (0.52) LMNAMEN1MAPTKMT2ARAB9A
SCHEMBL11337607 0.84 LMNA (0.70) LMNAMEN1MAPTKMT2ARAB9A
SCHEMBL11347034 0.84 CNR1 (0.61) LMNAMEN1KMT2ACNR1
SCHEMBL3461364 0.81 LMNA (0.72) LMNACNR1CNR2ALDH1A1TSHR
SCHEMBL2847688 0.76 BLM (0.47) ALDH1A1HTTNPSR1TYRTSHR
SCHEMBL11747540 0.75 LMNA (0.49) LMNAMEN1MAPTKMT2ARAB9A
SCHEMBL27676416 0.73 HTT (0.44) MEN1MAPTKMT2AALDH1A1HTT
SCHEMBL27676419 0.73 HTT (0.44) MEN1MAPTKMT2AALDH1A1HTT
SCHEMBL21232816 0.72 ALDH1A1 (0.45) LMNAMAPTALDH1A1TP53TYR
SCHEMBL11334858 0.71 KDM1A (0.51) LMNAMEN1MAPTKMT2ACNR1

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-5567411-A ADMINISTERING TO A WARM-BLOODED ANIMAL TO OBTAIN A MAGNETIC RESONANCE IMAGE OF SUBJECT STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1996-10-22 US disclosed