SCHEMBL7660286

SCHEMBL7660286

COc1n[nH]c(=O)n1Cc1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45
MAPK1 P28482 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HIF1A Q16665 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL7664821 0.81 FAAH (0.52) PIK3R1PIK3CAMAPK1ALDH1A1HIF1A
SCHEMBL7671570 0.79 PIK3R1 (0.38) MAPTPIK3R1PIK3CAMAPK1ALDH1A1
SCHEMBL7672546 0.77 MAPT (0.52) MAPTMAPK1HPGDALDH1A1HIF1A
SCHEMBL7671137 0.77 TLR7 (0.41) MAPTPIK3R1PIK3CAALDH1A1MEN1
SCHEMBL8486708 0.70 MAPK1 (0.49) MAPTMAPK1HPGDALDH1A1HIF1A
SCHEMBL15825630 0.69 ALDH1A1 (0.43) MAPK1ALDH1A1POLBADORA1
SCHEMBL3981770 0.69 IDO1 (0.46) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL7666649 0.68 CHEK1 (0.39) MAPTHPGDALDH1A1
SCHEMBL8768659 0.68 KDM4E (0.35) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30626656 0.68 IDO1 (0.50) MAPK1MEN1KMT2APOLBIDO1

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-6489487-B1 AGRICULTURAL OR HORTICULTURAL FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-03 US disclosed
EP-1103548-A1 TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-05-30 EP disclosed