SCHEMBL6942497

SCHEMBL6942497

CCC[C@H](C(=O)NOCc1ccccc1)c1cc(C)ccc1[C@](CCC)(C(=O)NN)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 3/20 0.33
OPRK1 P41145 2/20 0.33
BACE1 P56817 3/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL6941761 0.85 TAS1R3 (0.33) TAS1R3TAS1R1
SCHEMBL7076167 0.83 ADAM17 (0.39) LMNA
SCHEMBL6939987 0.82 NPC1 (0.33) RAB9ANPC1MAPTLMNAHTT
SCHEMBL6940210 0.76 ALDH1A1 (0.34) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL6939572 0.75 PPARA (0.32)
SCHEMBL6939946 0.75 NPC1 (0.36) RAB9ANPC1MAPTMEN1HTT
SCHEMBL6945854 0.74 ADAM17 (0.37)
SCHEMBL6940258 0.74 HDAC1 (0.34) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL6941637 0.73 NPC1 (0.34) RAB9ANPC1MAPTMEN1LMNA
SCHEMBL6940036 0.73 TSHR (0.38) RAB9ANPC1MAPTMEN1HTT

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