SCHEMBL9706152

SCHEMBL9706152

Cc1ccc2nc3c(nc2c1)c1cc(Br)ccc1n3C(C)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NR1I2 O75469 1/20 0.45
AHR P35869 1/20 0.45
MAPT P10636 6/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX15 P16050 1/20 0.36
LMNA P02545 1/20 0.34
CREBBP Q92793 1/20 0.34
NQO2 P16083 1/20 0.34
HCRTR1 O43613 2/20 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
SCHEMBL9706081 0.89 MAPT (0.38) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL9706132 0.88 MAPT (0.51) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL9706303 0.86 MAPT (0.50) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL9706170 0.84 KMT2A (0.60) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL9706113 0.79 MAPK1 (0.37) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL9706156 0.76 MAPK1 (0.50) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL8121238 0.75 MAPT (0.38) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL9706165 0.73 KMT2A (0.61) MEN1KMT2ANR1I2AHRMAPT
Dimethylamine SCHEMBL9706158 0.73 MAPT (0.60) MEN1KMT2ANR1I2AHRMAPT
SCHEMBL1581067 0.73 MAPT (0.57) MEN1KMT2ANR1I2AHRMAPT

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
EP-0238459-B1 SUBSTITUTED INDOLOQUINOXALINES Lundblad, Leif (SE) 1992-04-15 EP claimed
WO-1987004436-A1 SUBSTITUTED INDOLOQUINOXALINES LUNDBLAD, LEIF (SE) 1987-07-30 WO claimed