SCHEMBL9768415

SCHEMBL9768415

CCN(CC)CCOc1ccc2c(c1)[nH]c(=O)c1c3ccccc3oc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.55
ALK Q9UM73 6/20 0.49
POLB P06746 1/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
PARP1 P09874 1/20 0.45
TOP1 P11387 1/20 0.43

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
SCHEMBL9768420 0.90 PARP1 (0.50) XDHBCHEACHESIGMAR1PARP1
SCHEMBL10668875 0.83 KCNA3 (0.44) XDHALKBCHEACHE
SCHEMBL10338976 0.82 ALDH1A1 (0.41) XDHPOLB
SCHEMBL11769590 0.81 PARP1 (0.52) XDHALKSIGMAR1PARP1
SCHEMBL9768404 0.79 XDH (0.56) XDHALKBCHEACHEPARP1
SCHEMBL9768407 0.77 RAD52 (0.46) ALK
SCHEMBL9768419 0.77 MAOB (0.59) XDHBCHEACHESIGMAR1PARP1
SCHEMBL10614432 0.77 ALDH1A1 (0.45) POLB
SCHEMBL9768410 0.77 ALDH1A1 (0.42) XDHALK
SCHEMBL3621488 0.77 CTSV (0.60) XDHALKSIGMAR1PARP1

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