SCHEMBL21808458

SCHEMBL21808458

NCc1cccc2c1[nH]c1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GPR3 P46089 1/20 0.48
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47

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
SCHEMBL30131116 0.85 MAPT (0.67) KIF11MAPTMAPK1NPSR1ALDH1A1
SCHEMBL195190 0.85 MAPT (0.67) KIF11MAPTMAPK1NPSR1ALDH1A1
SCHEMBL11141346 0.84 KIF11 (0.57) KIF11MAPTMAPK1NPSR1ALDH1A1
SCHEMBL9935634 0.82 KIF11 (0.55) KIF11MAPTMAPK1NPSR1ALDH1A1
SCHEMBL30357992 0.82 MAPT (0.55) KIF11MAPTMAPK1NPSR1ALDH1A1
SCHEMBL14689281 0.82 MAPT (0.55) KIF11MAPTMAPK1NPSR1ALDH1A1
Hydrochloric Acid SCHEMBL8935716 0.81 MAPT (0.54) KIF11MAPTMAPK1NPSR1ALDH1A1
SCHEMBL11577428 0.81 KIF11 (0.53) KIF11MAPTMAPK1NPSR1ALDH1A1
SCHEMBL1735965 0.81 KIF11 (0.53) KIF11MAPTMAPK1NPSR1ALDH1A1
SCHEMBL9935631 0.81 KIF11 (0.53) KIF11MAPTMAPK1NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220120753-A1 METHOD FOR DETERMINING PROGNOSIS OF CANCER THE UNIVERSITY OF TOKYO (JP) 2022-04-21 US disclosed
WO-2020059850-A1 METHOD FOR DETERMINING PROGNOSIS OF CANCER 国立大学法人東京大学 2020-03-26 WO disclosed
CN-102816107-B Carbazole derivative and preparation method and use thereof UNIV SOUTHEAST 2015-06-03 CN disclosed
CN-102816107-A Carbazole derivative and preparation method and use thereof UNIV SOUTHEAST 2012-12-12 CN disclosed