SCHEMBL29689079

SCHEMBL29689079

CC[C@]1(c2ccc(C(=O)N3CCN(c4ncc(C)cc4C)CC3)cc2F)NC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 19/20 0.41
ADAM17 P78536 8/20 0.39
MMP2 P08253 5/20 0.39
MMP1 P03956 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP13 P45452 3/20 0.37

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
SCHEMBL20134823 1.00 ADAMTS5 (0.41) ADAMTS5ADAM17MMP2MMP1MEN1
SCHEMBL29688742 1.00 ADAMTS5 (0.41) ADAMTS5ADAM17MMP2MMP1MEN1
SCHEMBL29688840 1.00 ADAMTS5 (0.41) ADAMTS5ADAM17MMP2MMP1MEN1
SCHEMBL20135065 1.00 ADAMTS5 (0.41) ADAMTS5ADAM17MMP2MMP1MEN1
SCHEMBL20134815 1.00 ADAMTS5 (0.41) ADAMTS5ADAM17MMP2MMP1MEN1
SCHEMBL29688825 0.93 ADAMTS5 (0.41) ADAMTS5ADAM17MMP2MMP1MMP13
SCHEMBL20135044 0.93 ADAMTS5 (0.41) ADAMTS5ADAM17MMP2MMP1MMP13
SCHEMBL29688694 0.90 ADAMTS5 (0.39) ADAMTS5ADAM17MMP2
SCHEMBL20135469 0.90 ADAMTS5 (0.39) ADAMTS5ADAM17MMP2
SCHEMBL29688709 0.88 LMNA (0.44) ADAMTS5ADAM17MMP2MEN1POLB

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