SCHEMBL29689043

SCHEMBL29689043

Cc1cc(C)c(N2CCN(C(=O)c3ccc(C4(C5CC5)NC(=O)NC4=O)cc3)CC2)nc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 10/20 0.38
ADAM17 P78536 5/20 0.38
MMP2 P08253 2/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP1 P03956 1/20 0.37
MMP12 P39900 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CRBN Q96SW2 2/20 0.36
GBA1 P04062 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL20135023 1.00 ADAMTS5 (0.38) ADAMTS5ADAM17MMP2ADAMTS4MMP1
SCHEMBL29688718 0.96 ADAMTS5 (0.39) ADAMTS5ADAM17MMP2ADAMTS4MMP1
SCHEMBL20135609 0.96 ADAMTS5 (0.39) ADAMTS5ADAM17MMP2ADAMTS4MMP1
SCHEMBL20134997 0.94 ADAMTS5 (0.38) ADAMTS5ADAM17ALDH1A1MEN1KMT2A
SCHEMBL29688890 0.87 HTT (0.40) ADAMTS5ADAM17MMP2ADAMTS4MMP1
SCHEMBL20135271 0.87 HTT (0.40) ADAMTS5ADAM17MMP2ADAMTS4MMP1
SCHEMBL29688749 0.86 ADAMTS5 (0.40) ADAMTS5ADAM17MMP2ADAMTS4MMP1
SCHEMBL20135181 0.86 ADAMTS5 (0.40) ADAMTS5ADAM17MMP2ADAMTS4MMP1
SCHEMBL20134799 0.85 ALDH1A1 (0.39) ADAMTS5ADAM17MMP2ALDH1A1CRBN
SCHEMBL20134796 0.85 ALDH1A1 (0.39) ADAMTS5ADAM17MMP2ALDH1A1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed