SCHEMBL25166284

SCHEMBL25166284

Nc1cc(O)c2c(c1)OCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AOC3 Q16853 1/20 0.35
CYP19A1 P11511 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
CDK2 P24941 2/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
AURKA O14965 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
ABCB1 P08183 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 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
SCHEMBL30329818 1.00 CYP3A4 (0.38) CYP3A4MEN1POLBMAPTKMT2A
SCHEMBL25166136 0.83 MAPT (0.41) MAPTALDH1A1
SCHEMBL30330238 0.83 MAPT (0.41) MAPTALDH1A1
SCHEMBL30221861 0.75 MAPT (0.41) CYP3A4MEN1POLBMAPTKMT2A
SCHEMBL21370005 0.75 CYP3A4 (0.41) CYP3A4MEN1POLBMAPTKMT2A
SCHEMBL21369363 0.75 NQO2 (0.37) CYP3A4CYP19A1ALDH1A1MAPK1DHFR
SCHEMBL14363137 0.75 SELL (0.41) CYP3A4POLBAOC3CYP19A1ALDH1A1
SCHEMBL25166428 0.75 MAPT (0.41) CYP3A4MEN1POLBMAPTKMT2A
SCHEMBL4043528 0.71 ALDH1A1 (0.57) CYP3A4MEN1POLBKMT2AALDH1A1
SCHEMBL3174450 0.71 HSD17B10 (0.52) CYP3A4AOC3ALDH1A1XDH

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
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed