SCHEMBL17870941

SCHEMBL17870941

CCN1C(=O)CC1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.53
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
BRD4 O60885 3/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL30054156 1.00 RIPK1 (0.53) RIPK1SIGMAR1LMNAADORA3BRD4
SCHEMBL17870940 1.00 RIPK1 (0.53) RIPK1SIGMAR1LMNAADORA3BRD4
SCHEMBL25017953 0.82 CHRM2 (0.57) RIPK1LMNAADORA3TSHRKMT2A
SCHEMBL23562447 0.82 CHRM2 (0.50) RIPK1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL28497094 0.80 RIPK1 (0.49) RIPK1SIGMAR1LMNAKMT2AALDH1A1
SCHEMBL19471162 0.79 RIPK1 (0.43) RIPK1SIGMAR1LMNAKMT2AALDH1A1
SCHEMBL17870947 0.79 RIPK1 (0.43) RIPK1SIGMAR1LMNAKMT2AALDH1A1
SCHEMBL19471071 0.77 CHRM2 (0.46) RIPK1SIGMAR1BRD4TSHRKMT2A
SCHEMBL17870932 0.77 CHRM2 (0.46) RIPK1SIGMAR1BRD4TSHRKMT2A
SCHEMBL17870936 0.77 RIPK1 (0.49) RIPK1LMNABRD4TSHRKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108492-B Cell necrosis inhibitor 北京生命科学研究所 2021-03-19 CN disclosed
EP-3224245-B1 NECROSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2018-09-12 EP disclosed
EP-3224245-A1 NECROSIS INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2017-10-04 EP disclosed
WO-2016101887-A1 NECROSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2016-06-30 WO disclosed