SCHEMBL11991176

SCHEMBL11991176

c1ccc(-c2cccc(-c3cnc(-c4cccc(-c5ccccc5)c4)cn3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.59
HSD17B2 P37059 2/20 0.59
KMO O15229 2/20 0.50
AXL P30530 1/20 0.46
CDK8 P49336 1/20 0.46
ASIC3 Q9UHC3 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
MAOA P21397 1/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL12957239 0.85 HSD17B1 (0.67) HSD17B1HSD17B2KMOAXLCDK8
SCHEMBL903602 0.82 RAB9A (0.50) HSD17B1HSD17B2NPC1NFKB1RAB9A
SCHEMBL13910991 0.82 HSD17B1 (0.63) HSD17B1HSD17B2KMOAXLCDK8
SCHEMBL1304066 0.82 RAB9A (0.52) HSD17B1HSD17B2NPC1NFKB1RAB9A
SCHEMBL21322286 0.81 PIM2 (0.55) KMOLOXL2
SCHEMBL27519625 0.81 PIM2 (0.55) KMOLOXL2
SCHEMBL128015 0.81 NPC1 (0.54) HSD17B1HSD17B2KMONPC1RAB9A
SCHEMBL23187874 0.80 KMO (0.46) HSD17B1HSD17B2KMOASIC3LOXL2
SCHEMBL14988250 0.80 MAOA (0.50) HSD17B1HSD17B2KMOASIC3LOXL2
SCHEMBL13834213 0.80 LDHA (0.51) HSD17B1HSD17B2KMOLOXL2NPC1

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
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 US disclosed
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 US disclosed