SCHEMBL29688486

SCHEMBL29688486

CCC1(c2ccc(C(=O)N3CCC(c4cn(-c5ccc(C)cc5)nn4)CC3)cc2F)NC(=O)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
ADAMTS5 Q9UNA0 7/20 0.34
MMP2 P08253 2/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
MGLL Q99685 1/20 0.34
KMT2A Q03164 2/20 0.33
MMP14 P50281 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
ACKR3 P25106 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MIF P14174 1/20 0.32
MEN1 O00255 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
SCHEMBL20135001 1.00 HSD11B1 (0.35) HSD11B1ADAMTS5MMP2MMP13ADAM17
SCHEMBL20135224 0.87 ADAMTS5 (0.38) ADAMTS5MMP2MMP13ADAM17KMT2A
SCHEMBL20135225 0.87 ADAMTS5 (0.38) ADAMTS5MMP2MMP13ADAM17KMT2A
SCHEMBL20135238 0.80 HSD11B1 (0.38) HSD11B1ADAMTS5MMP2ADAM17
SCHEMBL29688859 0.80 HSD11B1 (0.38) HSD11B1ADAMTS5MMP2ADAM17
SCHEMBL20135362 0.79 UBE2M (0.39) HSD11B1MMP2MGLLKMT2AUBE2M
SCHEMBL20135363 0.79 UBE2M (0.39) HSD11B1MMP2MGLLKMT2AUBE2M
SCHEMBL20134839 0.75 ADAMTS5 (0.42) ADAMTS5MMP2MMP13ADAM17MGLL
SCHEMBL20134838 0.75 ADAMTS5 (0.42) ADAMTS5MMP2MMP13ADAM17MGLL
SCHEMBL29688742 0.74 ADAMTS5 (0.41) ADAMTS5MMP2MMP13ADAM17KMT2A

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