SCHEMBL4740415

SCHEMBL4740415

S=c1[nH]c(-c2cc3ccccc3o2)cn1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.69
NPC1 O15118 7/20 0.69
ALDH1A1 P00352 4/20 0.69
MAPT P10636 3/20 0.69
KDM4E B2RXH2 3/20 0.69
HPGD P15428 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
MDM4 O15151 1/20 0.69
LMNA P02545 1/20 0.69
MDM2 Q00987 1/20 0.69
MMP13 P45452 2/20 0.55
MMP2 P08253 1/20 0.55
MMP14 P50281 1/20 0.55
GAA P10253 5/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 3/20 0.48
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL4739010 0.74 RAB9A (0.58) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL4737012 0.74 GAA (0.58) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL4735447 0.74 RAB9A (0.61) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL4737060 0.72 RAB9A (1.00) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL4785714 0.71 RAB9A (0.54) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL4735887 0.69 RAB9A (0.93) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL4785282 0.68 KMT2A (0.50) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL30036439 0.67 MAOB (0.63) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL103158 0.67 MAOB (0.63) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL927135 0.66 RAB9A (0.54) RAB9ANPC1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed