SCHEMBL8557528

SCHEMBL8557528

COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.71
TRIM24 O15164 1/20 0.63
BRD1 O95696 1/20 0.63
BRPF1 P55201 1/20 0.63
MAPT P10636 4/20 0.58
PLCG2 P16885 1/20 0.55
LMNA P02545 2/20 0.54
GHSR Q92847 2/20 0.54
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
MLNR O43193 1/20 0.52
CYP2D6 P10635 1/20 0.52
PLAU P00749 1/20 0.50
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
PGR P06401 1/20 0.47
POLB P06746 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
SCHEMBL8557904 0.86 PKM (0.73) PKMTRIM24BRD1BRPF1MAPT
SCHEMBL21950002 0.80 MAPT (0.55) PKMMAPTPLCG2GHSR
SCHEMBL10154341 0.79 PKM (0.66) PKMTRIM24BRD1BRPF1MAPT
SCHEMBL8558063 0.79 CYP3A4 (0.57) PKMTRIM24BRD1BRPF1MAPT
SCHEMBL10239988 0.78 PKM (0.67) PKMTRIM24BRD1BRPF1LMNA
Hydrochloric Acid SCHEMBL9957679 0.77 PKM (0.66) PKMTRIM24BRD1BRPF1LMNA
SCHEMBL20035962 0.75 PKM (0.65) PKMTRIM24BRD1BRPF1MAPT
SCHEMBL7819460 0.74 MAPT (0.56) PKMMAPTLMNAALDH1A1KMT2A
SCHEMBL639690 0.73 PKM (0.58) PKMTRIM24BRD1BRPF1MAPT
SCHEMBL4521621 0.73 PKM (0.58) PKMTRIM24BRD1BRPF1MAPT

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-0828733-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Novartis AG (CH) 1998-03-18 EP disclosed
WO-1996037490-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVARTIS AG (CH) 1996-11-28 WO disclosed