SCHEMBL10513412

SCHEMBL10513412

NCC1Oc2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.51
MAOB P27338 6/20 0.44
ADORA3 P0DMS8 3/20 0.44
CYP19A1 P11511 2/20 0.44
AR P10275 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RET P07949 1/20 0.42
KDR P35968 1/20 0.42
PARP1 P09874 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HSD11B1 P28845 1/20 0.39
AKR1C3 P42330 1/20 0.39

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
SCHEMBL26091520 0.80 STK17B (0.51) STK17BMAOBADORA3CYP19A1AR
SCHEMBL11105016 0.78 HTR2A (0.50) STK17BMAOBADORA3CYP19A1AR
SCHEMBL9147271 0.77 STK17B (0.65) STK17BMAOBADORA3CYP19A1AR
SCHEMBL28022789 0.76 STK17B (0.51) STK17BMAOBADORA3CYP19A1AR
SCHEMBL1429502 0.75 STK17B (0.46) STK17BMAOBADORA3CYP19A1AR
SCHEMBL5695188 0.74 STK17B (0.47) STK17BMAOBARRETKDR
SCHEMBL22497867 0.73 STK17B (0.46) STK17BMAOBCYP19A1KDM4ERET
SCHEMBL11590452 0.73 PGR (0.46) STK17BARPARP1
SCHEMBL5548145 0.72 RET (0.46) STK17BMAOBADORA3CYP19A1AR
SCHEMBL10920133 0.72 ALDH1A1 (0.50) KDM4EHSD17B10MEN1KMT2AMAPT

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-0213006-B1 DERIVATIVES OF 2,3-DIHYDRO-BENZOFURANE, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1989-01-25 EP disclosed
EP-0213006-A1 Derivatives of 2,3-dihydro-benzofurane, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1987-03-04 EP disclosed