SCHEMBL29688993

SCHEMBL29688993

Cc1cc(C)c(N2CCN(C(=O)c3ccc(C4(C(C)C)NC(=O)NC4=O)cc3F)CC2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.40
ADAMTS5 Q9UNA0 11/20 0.36
ADAM17 P78536 6/20 0.36
KDM4E B2RXH2 1/20 0.36
MMP13 P45452 1/20 0.35
CPS1 P31327 1/20 0.35
GBA1 P04062 4/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MGLL Q99685 1/20 0.35
MMP1 P03956 1/20 0.34

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
SCHEMBL20135075 1.00 HTT (0.40) HTTKMT2AADAMTS5ADAM17KDM4E
SCHEMBL20135445 0.88 HTT (0.43) HTTKMT2AADAMTS5ADAM17KDM4E
SCHEMBL29689076 0.88 HTT (0.43) HTTKMT2AADAMTS5ADAM17KDM4E
SCHEMBL20135352 0.88 HTT (0.43) HTTKMT2AADAMTS5ADAM17KDM4E
SCHEMBL29688920 0.88 HTT (0.43) HTTKMT2AADAMTS5ADAM17KDM4E
SCHEMBL29688820 0.88 HTT (0.43) HTTKMT2AADAMTS5ADAM17KDM4E
SCHEMBL20135354 0.88 HTT (0.43) HTTKMT2AADAMTS5ADAM17KDM4E
SCHEMBL20134791 0.87 HTT (0.40) HTTKMT2AADAMTS5ADAM17KDM4E
SCHEMBL29688908 0.87 HTT (0.40) HTTKMT2AADAMTS5ADAM17KDM4E
SCHEMBL20134817 0.87 ALDH1A1 (0.37) HTTKMT2AADAMTS5ADAM17KDM4E

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