SCHEMBL9868368

SCHEMBL9868368

COC(=O)c1ccc(NC(C)=O)c(CCCBr)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL13215874 0.88 SMN1; SMN2 (0.43) SMN1; SMN2TDP1ALOX15MAPK1HSD17B10
SCHEMBL7327731 0.87 CYP4A11 (0.43) SMN1; SMN2TDP1ALOX15MAPK1HSD17B10
SCHEMBL10739653 0.86 KDM4E (0.42) SMN1; SMN2TDP1HSD17B10MAPTALDH1A1
SCHEMBL19211610 0.85 SMN1; SMN2 (0.46) SMN1; SMN2TDP1ALOX15MAPK1HSD17B10
SCHEMBL7331494 0.84 SMN1; SMN2 (0.40) SMN1; SMN2TDP1ALOX15MAPK1HSD17B10
SCHEMBL19211596 0.78 SMN1; SMN2 (0.44) SMN1; SMN2TDP1ALOX15MAPK1HSD17B10
SCHEMBL8684974 0.78 SMN1; SMN2 (0.44) SMN1; SMN2TDP1ALOX15MAPK1HSD17B10
SCHEMBL2964830 0.77 SMN1; SMN2 (0.43) SMN1; SMN2TDP1ALOX15MAPK1HSD17B10
SCHEMBL7325433 0.77 PSMD10 (0.43) SMN1; SMN2TDP1HSD17B10MAPTALDH1A1
SCHEMBL9868836 0.76 SMN1; SMN2 (0.37) SMN1; SMN2TDP1MAPK1MAPTALDH1A1

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-5006570-A Dihydrobenzofuran- and chroman-carboxamide derivatives, processes for the preparation thereof and use thereof as neuroleptics LABORATOIRES DELAGRANGE (FR) 1991-04-09 US disclosed
CN-87100978-A Dihydrobenzofuran-and chroman-carboxamide derivatives, processes for their preparation and their use as neuroleptics 1987-09-16 CN disclosed