SCHEMBL9876047

SCHEMBL9876047

Cc1ccc2cc3cc[nH]c3c-2cc1.c1ccc2cc3cc[nH]c3c-2cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
IKBKB O14920 2/20 0.43
CHUK O15111 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
AXL P30530 1/20 0.38
CDK8 P49336 1/20 0.38
TRPA1 O75762 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NR1H2 P55055 1/20 0.37

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
SCHEMBL9825748 0.92 PARP10 (0.38) NPC1IKBKBCHUKMEN1KMT2A
SCHEMBL9825477 0.88 IKBKB (0.51) NPC1IKBKBCHUKMAPTALOX5AP
SCHEMBL24034931 0.80 AHR (0.46) ADORA3NR3C1
SCHEMBL5661955 0.75 GSTP1 (0.48) NPC1IKBKBCHUKNR3C1
SCHEMBL7088348 0.75 NPC1 (0.49) NPC1IKBKBCHUKAXLCDK8
SCHEMBL594405 0.73 AHR (0.50) NPC1IKBKBCHUKMAPTTRPA1
SCHEMBL20232779 0.73 IKBKB (0.55) NPC1IKBKBCHUKAXLCDK8
SCHEMBL17573827 0.71 IKBKB (0.50) NPC1IKBKBCHUKALDH1A1HPGD
SCHEMBL22178774 0.70 NPC1 (0.61) NPC1ALOX5APFEN1TRPA1MAP3K11
SCHEMBL31504070 0.70 NPC1 (0.61) NPC1ALOX5APFEN1TRPA1MAP3K11

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed