SCHEMBL9706097

SCHEMBL9706097

CN(C)CCn1c2nc3ccccc3nc2c2cc(Cl)cc(Cl)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TOP2A P11388 2/20 0.47
KDM4E B2RXH2 7/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
HCRTR1 O43613 2/20 0.46
POLB P06746 3/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 2/20 0.45
RAD52 P43351 2/20 0.45
RAB9A P51151 1/20 0.45
SMARCA2 P51531 1/20 0.45
KMT2A Q03164 3/20 0.43
GLA P06280 2/20 0.43

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
Hydrochloric Acid SCHEMBL9706065 0.81 MAPT (0.69) MAPTL3MBTL1TDP1CYP1A2CYP3A4
Dimethylamine SCHEMBL9706106 0.80 MAPT (0.61) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL9706144 0.79 TOP2A (0.54) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL9706276 0.75 POLB (0.75) MAPTL3MBTL1TDP1TOP2AKDM4E
SCHEMBL9706091 0.74 MAPT (0.44) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL9706138 0.73 KDM4E (0.46) MAPTTOP2AKDM4EPOLBRAB9A
SCHEMBL9706173 0.72 MAPT (0.64) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL9706137 0.72 MAPK1 (0.63) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL7639668 0.72 POLB (0.55) MAPTL3MBTL1TDP1CYP1A2CYP3A4
SCHEMBL9706168 0.72 MAPT (0.70) MAPTL3MBTL1TDP1CYP1A2CYP3A4

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