SCHEMBL8153452

SCHEMBL8153452

CC1=C(C(=O)OCC[S+](C)[O-])N=c2cc3c(c(C)c21)=Nc1ccccc1-3

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL8156114 0.86 CHRM2 (0.38) MAPT
SCHEMBL8150571 0.83 HTT (0.32) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL1388713 0.82 TDP1 (0.40) LMNAMAPTSMN1; SMN2
SCHEMBL8910755 0.81 TSHR (0.33) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8909858 0.80 MAPT (0.30) MAPT
SCHEMBL8154324 0.80 LMNA (0.35) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8155851 0.80 CHRNB2 (0.36) MAPTSMN1; SMN2
SCHEMBL8150139 0.78 RAB9A (0.33) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8910147 0.78 LMNA (0.31) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8150388 0.78 LMNA (0.32) LMNAHSP90AA1MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852204-A Pyrrolo 3,2-b-!-carbazoles and 1H 1!benzothieno 2,3-f! indoles having anti-tumor activity UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1998-12-22 US claimed
US-6013807-A Antitumor tetracyclic compounds UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-01-11 US disclosed
US-5852204-A Pyrrolo 3,2-b-!-carbazoles and 1H 1!benzothieno 2,3-f! indoles having anti-tumor activity UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1998-12-22 US disclosed