SCHEMBL8889128

SCHEMBL8889128

O=C(NC1Cc2ccccc2O1)c1ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CHRNB2 P17787 3/20 0.47
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNA4 P43681 3/20 0.47
PRMT5 O14744 1/20 0.46
HTT P42858 1/20 0.45
ROCK2 O75116 1/20 0.43
TP53 P04637 1/20 0.42
DRD3 P35462 1/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 1/20 0.41
BCAT2 O15382 1/20 0.41

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
SCHEMBL28134429 0.73 MTNR1A (0.49) NPSR1SMN1; SMN2TSHRMAPT
SCHEMBL3730600 0.71 GAA (0.52) GAAALDH1A1NPSR1MEN1KMT2A
SCHEMBL6615213 0.70 TAS1R3 (0.62) GAAALDH1A1NPSR1MEN1KMT2A
SCHEMBL4387054 0.70 HPGD (0.41) ALDH1A1TSHR
SCHEMBL7688624 0.69 GAA (0.53) GAAALDH1A1NPSR1MEN1KMT2A
SCHEMBL4822121 0.68 CYP1A2 (0.41) NPSR1MEN1KMT2ATP53TSHR
SCHEMBL15758573 0.68 HPGD (0.40) TSHR
SCHEMBL6711198 0.68 GAA (0.76) GAAALDH1A1NPSR1MEN1KMT2A
SCHEMBL27581667 0.67 MAOB (0.42) TSHRMAPT
SCHEMBL975666 0.67 CHRNB2 (0.67) GAAALDH1A1NPSR1MEN1KMT2A

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-5700818-A Dihydrobenzofuranyl-biphenyl carboxamides having 5HT1D antagonistic activity SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-23 US disclosed
US-5700818-A Dihydrobenzofuranyl-biphenyl carboxamides having 5HT1D antagonistic activity SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-23 US disclosed