SCHEMBL8690787

SCHEMBL8690787

O=C(O)/C=C/c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.56
NPC1 O15118 14/20 0.56
SMN1; SMN2 Q16637 9/20 0.56
TP53 P04637 6/20 0.56
PKM P14618 3/20 0.56
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56
HPGD P15428 1/20 0.55
MEN1 O00255 10/20 0.52
KMT2A Q03164 10/20 0.52
MAPT P10636 4/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
DDX3X O00571 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NLRP3 Q96P20 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL8690790 1.00 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL8693526 0.89 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL8693524 0.89 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL8695258 0.87 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL24601168 0.82 MAOB (0.63) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL5733671 0.81 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL14499185 0.80 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL8693183 0.78 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL7829761 0.76 MMP13 (0.50) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL5866982 0.74 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53PKM

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
US-5843937-A DNA-binding indole derivatives, their prodrugs and immunoconjugates as anticancer agents PANORAMA RESEARCH, INC. (US) 1998-12-01 US disclosed