SCHEMBL7839640

SCHEMBL7839640

CC(C)C[C@@H](C(=O)Nn1c(=O)[nH]c2ccsc2c1=O)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 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
SCHEMBL7837029 0.89 MMP1 (0.34) HPGDALDH1A1KMT2AMAPK1GAA
SCHEMBL7848659 0.86 MMP1 (0.35) HPGDALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL7843343 0.84 HPGD (0.46) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7960589 0.84 HPGD (0.46) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6221034 0.83 MMP1 (0.38) MMP1MMP13
SCHEMBL7849870 0.82 HPGD (0.51) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7849871 0.82 HPGD (0.51) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7847971 0.80 HPGD (0.47) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7835338 0.80 MMP1 (0.37) MMP1MMP13
SCHEMBL7840445 0.80 MMP1 (0.46) MMP1MMP13

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137640-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed
WO-2000035885-A1 CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed