SCHEMBL9859945

SCHEMBL9859945

N#Cc1ccccc1Cc1oc(Br)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
GALR3 O60755 1/20 0.34
MAOB P27338 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 3/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 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
SCHEMBL2153612 0.73 CYP19A1 (0.48) SMN1; SMN2ALDH1A1MAPTCYP19A1RAB9A
SCHEMBL27517494 0.68 CA1 (0.55) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL26988712 0.68 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTKMT2ACYP19A1
SCHEMBL30252315 0.66 CYP19A1 (0.43) SMN1; SMN2ALDH1A1MAPTCYP19A1RAB9A
SCHEMBL1252940 0.66 TSHR (0.48) SMN1; SMN2ALDH1A1MAPTCYP19A1MAOB
SCHEMBL5728797 0.66 CYP19A1 (0.43) SMN1; SMN2ALDH1A1MAPTCYP19A1RAB9A
SCHEMBL11565255 0.66 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MAPTKMT2ACYP19A1
SCHEMBL899 0.66 CYP19A1 (0.46) SMN1; SMN2ALDH1A1MAPTCYP19A1RAB9A
SCHEMBL30496165 0.66 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTKMT2ACYP19A1
SCHEMBL29513232 0.66 CYP19A1 (0.46) SMN1; SMN2ALDH1A1MAPTCYP19A1RAB9A

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
CN-1052672-A Benzofuran derivative GLAXO GROUP LTD (GB) 1991-07-03 CN disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed