SCHEMBL9859801

SCHEMBL9859801

N#Cc1ccccc1Cc1occ2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HTT P42858 2/20 0.37
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
CYP19A1 P11511 1/20 0.35
ANPEP P15144 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
PLAU P00749 1/20 0.34
GALR3 O60755 1/20 0.34
NOX4 Q9NPH5 1/20 0.34

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
SCHEMBL27517494 0.75 CA1 (0.55) ALDH1A1SMN1; SMN2MAPTCA1CA2
SCHEMBL2153612 0.73 CYP19A1 (0.48) ALDH1A1SMN1; SMN2MAPTCA1CA2
SCHEMBL11031530 0.73 KDM4E (0.35) ALDH1A1MAPTCA1CA2HTT
SCHEMBL9859945 0.72 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MAPTCA1CA2
SCHEMBL4837030 0.70 CA1 (0.47) ALDH1A1MAPTCA1CA2HTT
SCHEMBL4068907 0.68 CA1 (0.55) ALDH1A1SMN1; SMN2MAPTCA1CA2
SCHEMBL1746782 0.66 MAOB (0.40) ALDH1A1MAPTGAATSHRHSD17B10
SCHEMBL1252940 0.66 TSHR (0.48) ALDH1A1SMN1; SMN2MAPTCYP19A1TSHR
SCHEMBL9739681 0.66 HTR2A (0.43) ALDH1A1MAPTGAATSHRHSD17B10
SCHEMBL9935525 0.66 TDP1 (0.35) ALDH1A1GAATSHRHSD17B10TDP1

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