SCHEMBL9706257

SCHEMBL9706257

Cc1cc2nc3c4cc(Br)ccc4n(CCN4CCOCC4)c3nc2cc1C

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.80
MAPK1 P28482 1/20 0.80
TSHR P16473 2/20 0.66
LMNA P02545 2/20 0.66
MAPT P10636 1/20 0.66
CREBBP Q92793 1/20 0.66
POLB P06746 2/20 0.58
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR2 P34972 3/20 0.43
GAA P10253 2/20 0.43
DCTPP1 Q9H773 1/20 0.41

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
SCHEMBL9706088 0.79 MAPK1 (0.50) ALOX15MAPK1TSHRLMNAMAPT
SCHEMBL9706255 0.77 MAPK1 (0.48) ALOX15MAPK1TSHRLMNAMAPT
SCHEMBL9706117 0.76 MAPK1 (0.47) ALOX15MAPK1TSHRLMNAMAPT
Dimethylamine SCHEMBL9706094 0.76 MAPT (0.51) ALOX15MAPK1TSHRLMNAMAPT
SCHEMBL9436917 0.75 KDM4E (0.54) ALOX15MAPK1TSHRLMNAMAPT
SCHEMBL10419126 0.74 MAPK1 (0.46) ALOX15MAPK1TSHRLMNAMAPT
SCHEMBL12851676 0.73 TSHR (1.00) ALOX15MAPK1TSHRLMNAMAPT
SCHEMBL9706123 0.73 MAPT (0.47) ALOX15MAPK1TSHRLMNAMAPT
SCHEMBL17678061 0.72 LMNA (0.66) ALOX15MAPK1TSHRLMNAMAPT
SCHEMBL28347141 0.70 MAPT (0.83) ALOX15MAPK1TSHRLMNAMAPT

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
EP-0238459-B1 SUBSTITUTED INDOLOQUINOXALINES Lundblad, Leif (SE) 1992-04-15 EP disclosed
US-4990510-A Viricides, anticancer agents LEIF LUNDBLAD (BE) 1991-02-05 US disclosed
EP-0238459-A1 Substituted indoloquinoxalines Lundblad, Leif (SE) 1987-09-23 EP disclosed
WO-1987004436-A1 SUBSTITUTED INDOLOQUINOXALINES LUNDBLAD, LEIF (SE) 1987-07-30 WO disclosed