SCHEMBL9475228

SCHEMBL9475228

O=C(c1ccc(Br)cc1)c1ccc2cc(C(=O)c3ccc(Br)cc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 3/20 0.59
RAB9A P51151 2/20 0.59
MAPT P10636 2/20 0.59
MAPK1 P28482 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
NPC1 O15118 2/20 0.55
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
CLK1 P49759 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
SRD5A2 P31213 1/20 0.47
AKR1C3 P42330 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HSD17B14 Q9BPX1 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
SCHEMBL9475864 0.93 LMNA (0.55) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL22155389 0.92 CES2 (0.59) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL3161626 0.86 MEN1 (0.66) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL3842531 0.85 LMNA (0.73) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL9126141 0.85 LMNA (0.73) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL132367 0.85 LMNA (0.73) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL3910627 0.83 LMNA (0.64) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL29984922 0.83 LMNA (0.70) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL9126956 0.82 ATM (0.67) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL21679446 0.82 MAPT (0.74) MEN1KMT2ALMNARAB9AMAPT

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-5191056-A Molding materials TEIJIN LIMITED (JP) 1993-03-02 US disclosed