SCHEMBL9706091

SCHEMBL9706091

CC(N(C)C)n1c2nc3ccccc3nc2c2cc(Cl)cc(Cl)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
CASP1 P29466 4/20 0.44
CASP7 P55210 4/20 0.44
HCRTR1 O43613 4/20 0.44
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 3/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 4/20 0.35
NPC1 O15118 4/20 0.35
MEN1 O00255 3/20 0.35
RAB9A P51151 3/20 0.35
NR1I2 O75469 1/20 0.34
AHR P35869 1/20 0.34

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
SCHEMBL9706097 0.74 MAPT (0.49) MAPTCASP1CASP7HCRTR1KDM4E
SCHEMBL9706134 0.72 ALDH1A1 (0.38) MAPTCASP1CASP7HCRTR1KDM4E
SCHEMBL9706170 0.72 KMT2A (0.60) MAPTCASP1CASP7HCRTR1KDM4E
Dimethylamine SCHEMBL9706106 0.71 MAPT (0.61) MAPTCASP1CASP7HCRTR1KDM4E
SCHEMBL9706165 0.71 KMT2A (0.61) MAPTCASP1CASP7HCRTR1KDM4E
SCHEMBL9706132 0.71 MAPT (0.51) MAPTCASP1CASP7HCRTR1KDM4E
SCHEMBL9706303 0.70 MAPT (0.50) MAPTCASP1CASP7HCRTR1KDM4E
SCHEMBL5530192 0.69 MAPT (0.68) MAPTCASP1CASP7HCRTR1KDM4E
SCHEMBL8113520 0.69 POLB (0.59) MAPTCASP1CASP7KDM4ETDP1
SCHEMBL1581067 0.68 MAPT (0.57) MAPTCASP1CASP7HCRTR1KDM4E

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 3 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
WO-1987004436-A1 SUBSTITUTED INDOLOQUINOXALINES LUNDBLAD, LEIF (SE) 1987-07-30 WO disclosed