SCHEMBL8693183

SCHEMBL8693183

O=C(Nc1ccc2[nH]c(CO)cc2c1)c1cc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.59
NPC1 O15118 15/20 0.59
SMN1; SMN2 Q16637 9/20 0.59
HPGD P15428 1/20 0.59
TP53 P04637 6/20 0.57
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
PKM P14618 3/20 0.57
LMNA P02545 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
ATM Q13315 1/20 0.56
TSHR P16473 3/20 0.54
MAPK1 P28482 2/20 0.54
NLRP3 Q96P20 1/20 0.54

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
SCHEMBL14499185 0.84 RAB9A (0.65) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL5733671 0.83 RAB9A (0.62) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL8695258 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL8690787 0.78 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL8690790 0.78 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL8693524 0.76 RAB9A (0.55) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL8693526 0.76 RAB9A (0.55) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL6506633 0.75 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL13405930 0.75 HPGD (0.65) RAB9ANPC1SMN1; SMN2HPGDTP53
SCHEMBL5866982 0.74 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HPGDTP53

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