SCHEMBL9706076

SCHEMBL9706076

Cc1ccc2nc3n(CCN(C)C)c4ccccc4nc-3c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PTGER4 P35408 3/20 0.45
TP53 P04637 4/20 0.44
TOP2A P11388 1/20 0.44
TERT O14746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL9706283 0.89 MAPT (0.49) POLBHDAC1HDAC8HDAC6PTGER4
Dimethylamine SCHEMBL9706082 0.80 NLRP3 (0.54) TP53MAPTHPGDHTTKDM4E
SCHEMBL6655074 0.79 PTGER4 (0.45) POLBHDAC1HDAC8HDAC6PTGER4
SCHEMBL9706138 0.78 KDM4E (0.46) POLBHDAC1HDAC8HDAC6PTGER4
Hydrochloric Acid SCHEMBL8025753 0.78 HPGD (0.63) POLBHDAC1HDAC8HDAC6TP53
SCHEMBL15139648 0.74 PKM (0.70) POLBTP53TOP2AHPGDPKM
SCHEMBL9706071 0.74 LMNA (0.42) POLBTP53MAPTHPGDKDM4E
SCHEMBL6400968 0.73 HTT (0.76) POLBTP53MAPTHTTKDM4E
Hydrochloric Acid SCHEMBL7176360 0.73 POLB (0.51) POLBHDAC1HDAC8HDAC6TP53
Hydrochloric Acid SCHEMBL7181491 0.73 POLB (0.51) POLBHDAC1HDAC8HDAC6TP53

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