SCHEMBL8797747

SCHEMBL8797747

O=c1[nH]c2ccccc2n2nnnc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
ADORA3 P0DMS8 10/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
G6PD P11413 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ADORA1 P30542 3/20 0.48
ADORA2A P29274 1/20 0.48
PARP1 P09874 1/20 0.46

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
SCHEMBL9037166 0.80 POLB (0.39) POLBADORA3KDM4EALDH1A1MAPT
SCHEMBL9036984 0.76 GRIA1 (0.56) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL9037382 0.75 GRIA1 (0.50) ADORA3ALDH1A1MEN1KMT2APARP1
SCHEMBL9040060 0.75 GRIA1 (0.50) ADORA3ALDH1A1PARP1
SCHEMBL11326239 0.75 KMT2A (0.53) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL30273075 0.75 ADORA3 (0.52) POLBADORA3KDM4EALDH1A1MAPT
SCHEMBL30567506 0.74 ALDH1A1 (0.42) POLBADORA3KDM4EALDH1A1MAPT
SCHEMBL30273081 0.71 POLB (1.00) POLBADORA3KDM4EALDH1A1MAPT
SCHEMBL1599006 0.71 POLB (1.00) POLBADORA3KDM4EALDH1A1MAPT
SCHEMBL9038023 0.71 GRIA1 (0.50) MAPTHPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 US claimed
WO-2016024096-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2016-02-18 WO disclosed
EP-0708778-B1 IMIDAZO[1,2-A]PYRAZIN-4-ONE DERIVATIVES FOR USE AS AMPA AND NMDA RECEPTOR ANTAGONISTS RHONE POULENC RORER SA (FR) 1997-02-05 EP disclosed
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 US disclosed