SCHEMBL9768404

SCHEMBL9768404

O=c1[nH]c2cc(OCCN3CCCC3)ccc2c2oc3ccccc3c12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.56
PARP1 P09874 3/20 0.53
MAOB P27338 7/20 0.51
HRH3 Q9Y5N1 4/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
ALK Q9UM73 1/20 0.51
KDR P35968 2/20 0.48
MCHR1 Q99705 1/20 0.46
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46

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
SCHEMBL9768419 0.92 MAOB (0.59) XDHPARP1MAOBBCHEACHE
SCHEMBL10668875 0.82 KCNA3 (0.44) XDHBCHEACHEALK
SCHEMBL9768420 0.81 PARP1 (0.50) XDHPARP1BCHEACHE
SCHEMBL10338976 0.79 ALDH1A1 (0.41) XDH
SCHEMBL9768415 0.79 XDH (0.55) XDHPARP1BCHEACHEALK
SCHEMBL9768410 0.78 ALDH1A1 (0.42) XDHALKFGFR1
SCHEMBL1794801 0.77 PARP1 (0.64) PARP1MAOBHRH3KDR
SCHEMBL9768406 0.77 SMN1; SMN2 (0.52) ALK
SCHEMBL1795884 0.76 PARP1 (0.66) PARP1MAOBHRH3KDR
SCHEMBL1796324 0.75 PARP1 (0.61) XDHPARP1MAOBHRH3

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-5073553-A Treatment or prevention of osteoporosis KISSEI PHARMACEUTICAL CO., LTD. (JP) 1991-12-17 US disclosed
EP-0370760-A2 Benzofuro[3,2-c]quinoline compounds Kissei Pharmaceutical Co., Ltd. (JP) 1990-05-30 EP disclosed