SCHEMBL29688802

SCHEMBL29688802

Cc1cc(C2(C)NC(=O)NC2=O)ccc1C(=O)N1CCN(c2nc(C)c(C)cc2C)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.38
LMNA P02545 2/20 0.38
ADAMTS5 Q9UNA0 9/20 0.36
ADAM17 P78536 3/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL20135396 1.00 GBA1 (0.38) GBA1LMNAADAMTS5ADAM17HTT
SCHEMBL20135354 0.92 HTT (0.43) GBA1LMNAADAMTS5ADAM17HTT
SCHEMBL29689076 0.92 HTT (0.43) GBA1LMNAADAMTS5ADAM17HTT
SCHEMBL20135352 0.92 HTT (0.43) GBA1LMNAADAMTS5ADAM17HTT
SCHEMBL29688820 0.92 HTT (0.43) GBA1LMNAADAMTS5ADAM17HTT
SCHEMBL29688920 0.92 HTT (0.43) GBA1LMNAADAMTS5ADAM17HTT
SCHEMBL20135445 0.92 HTT (0.43) GBA1LMNAADAMTS5ADAM17HTT
SCHEMBL20134796 0.90 ALDH1A1 (0.39) GBA1LMNAADAMTS5ADAM17HTT
SCHEMBL29688482 0.90 ALDH1A1 (0.39) GBA1LMNAADAMTS5ADAM17HTT
SCHEMBL20134799 0.90 ALDH1A1 (0.39) GBA1LMNAADAMTS5ADAM17HTT

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