SCHEMBL9706280

SCHEMBL9706280

CC(N(C)C)n1c2nc3ccc(Br)cc3c-2nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
ALPG P10696 1/20 0.41
RPS6KB1 P23443 1/20 0.40
GSK3B P49841 1/20 0.40
ROCK1 Q13464 1/20 0.40
POLB P06746 1/20 0.40
PRNP P04156 1/20 0.40
PDE4B Q07343 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL9706071 0.89 LMNA (0.42) MAPTHSD17B10LMNARAB9AKDM4E
SCHEMBL8027446 0.77 KDM4E (0.61) MAPTHSD17B10LMNARAB9AKDM4E
SCHEMBL9706134 0.76 ALDH1A1 (0.38) MAPTHSD17B10LMNARAB9AKDM4E
Hydrochloric Acid SCHEMBL8025752 0.76 KDM4E (0.59) MAPTHSD17B10LMNARAB9AKDM4E
SCHEMBL9706283 0.75 MAPT (0.49) MAPTHSD17B10LMNAHPGDPOLB
SCHEMBL9706132 0.72 MAPT (0.51) MAPTHSD17B10KDM4EALDH1A1TP53
Dimethylamine SCHEMBL9706291 0.72 RPS6KA5 (0.49) MAPTHSD17B10LMNARAB9AKDM4E
SCHEMBL6930941 0.68 CYP1A2 (0.51) MAPTHSD17B10LMNARAB9AKDM4E
Hydrochloric Acid SCHEMBL6934110 0.67 CYP1A2 (0.50) MAPTHSD17B10LMNARAB9AKDM4E
SCHEMBL9706152 0.67 MEN1 (0.45) MAPTLMNARAB9AKDM4EALDH1A1

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