SCHEMBL8150388

SCHEMBL8150388

CC1=C(C(=O)OC(CO)CO)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
SCHEMBL8141669 0.89 MAPK1 (0.32)
SCHEMBL8150300 0.85 MAPK1 (0.33)
SCHEMBL8910755 0.84 TSHR (0.33) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8910147 0.81 LMNA (0.31) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8536552 0.81 GAA (0.32) LMNAHSP90AA1MAPTHTTSMN1; SMN2
SCHEMBL8910392 0.81 CCNB2 (0.32) LMNAMAPTHTT
SCHEMBL8142537 0.81 MYC (0.34) MAPTHTT
SCHEMBL8155023 0.80 HTT (0.33) MAPTHTTSMN1; SMN2
SCHEMBL8156114 0.79 CHRM2 (0.38) MAPT
SCHEMBL8154324 0.79 LMNA (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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