SCHEMBL6945109

SCHEMBL6945109

CCC[C@](C(=O)NN)(c1ccc(C)cc1[C@H](CNC(=O)c1ccccc1)C(=O)OC(C)(C)C)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ITGAV P06756 3/20 0.33
PTPRC P08575 2/20 0.33
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ALOX12 P18054 1/20 0.33
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PRSS1 P07477 2/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 1/20 0.31
F10 P00742 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL6941637 0.89 NPC1 (0.34) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL6940210 0.88 ALDH1A1 (0.34) MEN1KMT2AITGAVTDP1ALDH1A1
SCHEMBL6942895 0.81 TSHR (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6940036 0.76 TSHR (0.38) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL7940341 0.74 F10 (0.32) KMT2ATDP1ALDH1A1LMNAMAPT
SCHEMBL6941761 0.74 TAS1R3 (0.33)
SCHEMBL6947687 0.73 HSPA9 (0.31)
SCHEMBL6940940 0.73 ADAM17 (0.35) MEN1KMT2ALMNAMAPTTP53
SCHEMBL7937054 0.71 L3MBTL1 (0.34) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL6940258 0.70 HDAC1 (0.34) MEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed