SCHEMBL20135225

SCHEMBL20135225

CCC1(c2ccc(C(=O)N3CCC(c4cn(-c5ccc(C)cc5)nn4)CC3)cc2)NC(=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 4/20 0.38
ADAM17 P78536 2/20 0.38
MMP2 P08253 2/20 0.38
MMP13 P45452 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CRBN Q96SW2 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.35
MIF P14174 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 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
SCHEMBL20135224 1.00 ADAMTS5 (0.38) ADAMTS5ADAM17MMP2MMP13UBE2M
SCHEMBL20135363 0.88 UBE2M (0.39) MMP2UBE2MDCUN1D1HPGDALDH1A1
SCHEMBL20135362 0.88 UBE2M (0.39) MMP2UBE2MDCUN1D1HPGDALDH1A1
SCHEMBL29688486 0.87 HSD11B1 (0.35) ADAMTS5ADAM17MMP2MMP13UBE2M
SCHEMBL20135001 0.87 HSD11B1 (0.35) ADAMTS5ADAM17MMP2MMP13UBE2M
SCHEMBL20134839 0.85 ADAMTS5 (0.42) ADAMTS5ADAM17MMP2MMP13UBE2M
SCHEMBL20135476 0.85 ADAM17 (0.39) ADAMTS5ADAM17MMP2MMP13UBE2M
SCHEMBL20135479 0.85 ADAM17 (0.39) ADAMTS5ADAM17MMP2MMP13UBE2M
SCHEMBL20134838 0.85 ADAMTS5 (0.42) ADAMTS5ADAM17MMP2MMP13UBE2M
SCHEMBL20135570 0.83 ADAMTS5 (0.38) ADAMTS5ADAM17MMP2MMP13UBE2M

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
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed