SCHEMBL9255701

SCHEMBL9255701

Cc1cccn2c(=O)c(-c3nnnn3CCC(C)C)cnc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
TP53 P04637 3/20 0.38
LMNA P02545 3/20 0.37
P2RX7 Q99572 2/20 0.36
HDAC8 Q9BY41 1/20 0.35
IDE P14735 1/20 0.34
ALDH1A1 P00352 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 1/20 0.33
RCE1 Q9Y256 1/20 0.33
HTT P42858 1/20 0.33
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9253888 0.89 MAPT (0.39) MAPTTP53LMNAP2RX7HDAC8
SCHEMBL9259671 0.88 ALDH1A1 (0.40) MAPTTP53LMNAP2RX7ALDH1A1
SCHEMBL9259561 0.85 MAPT (0.41) MAPTTP53LMNAP2RX7HDAC8
SCHEMBL9262577 0.83 ALDH1A1 (0.39) MAPTTP53IDEALDH1A1NPSR1
SCHEMBL18558870 0.82 TP53 (0.40) MAPTTP53LMNAP2RX7HDAC8
SCHEMBL9256075 0.81 MAPT (0.39) MAPTTP53LMNAP2RX7HDAC8
SCHEMBL9255925 0.81 MAPT (0.39) MAPTTP53LMNAP2RX7HDAC8
SCHEMBL356833 0.81 MAPT (0.41) MAPTTP53LMNAHDAC8ALDH1A1
SCHEMBL9261024 0.81 MAPT (0.39) MAPTTP53LMNAHDAC8ALDH1A1
SCHEMBL9215578 0.80 MAPT (0.37) MAPTTP53LMNAHDAC8ALDH1A1

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
US-5475000-A Antiulcer agents CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1995-12-12 US disclosed
EP-0641340-A1 NEW 3-(SUBSTITUTED TETRAZOLYL)-4-OXO-4H-PYRIDO- 1,2-a]PYRIMIDINES, SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1995-03-08 EP disclosed
WO-1993004065-A1 NEW 3-(SUBSTITUTED TETRAZOLYL)-4-OXO-4H-PYRIDO-[1,2-a]PYRIMIDINES, SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-03-04 WO disclosed