SCHEMBL28053273

SCHEMBL28053273

CCc1cc(CO)cc(C(N)=O)c1CC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
CASP6 P55212 1/20 0.36
MAPT P10636 1/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
DHFR P00374 1/20 0.34
IKBKB O14920 3/20 0.34
CHUK O15111 2/20 0.34
PDK2 Q15119 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CDC7 O00311 1/20 0.33
BACE1 P56817 1/20 0.33
PI4K2A Q9BTU6 1/20 0.32

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
SCHEMBL13504652 0.77 KDM4E (0.37) KDM4EPARP1SMN1; SMN2CDC7
SCHEMBL4951717 0.76 SMN1; SMN2 (0.39) KDM4EPARP1SMN1; SMN2IKBKBCDC7
SCHEMBL6186161 0.76 PARP1 (0.41) KDM4EMAPTPARP1SMN1; SMN2
SCHEMBL28975003 0.73 KDM4E (0.41) KDM4EMAPTPARP1MEN1KMT2A
SCHEMBL5372889 0.72 KDM4E (0.39) KDM4EPARP1SMN1; SMN2CDC7
SCHEMBL3828018 0.72 SMN1; SMN2 (0.39) KDM4EPARP1SMN1; SMN2IKBKBCDC7
SCHEMBL27772941 0.71 POLB (0.35) KDM4EPARP1GAASMN1; SMN2CDC7
SCHEMBL4852417 0.71 RXRA (0.43) KDM4ECASP6MAPTMEN1GAA
SCHEMBL10818516 0.71 IKBKB (0.45) KDM4EMAPTPARP1MEN1GAA
SCHEMBL5033052 0.70 SMN1; SMN2 (0.38) KDM4EMAPTPARP1MEN1KMT2A

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-105377837-B N (heteroaryl) sulfamide derivative as S100 inhibitor 活跃生物技术有限公司 2017-08-04 CN disclosed
CN-105377837-A N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB 2016-03-02 CN disclosed