SCHEMBL11550579

SCHEMBL11550579

CCc1c2cc(OC)c(OC)cc2nc2nc(C(=O)O)[nH]c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.42
▸ PDE3A Q14432 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ GAA P10253 1/20 0.42
▸ GABRA1 P14867 5/20 0.41
▸ GABRA5 P31644 5/20 0.41
▸ GABRA3 P34903 5/20 0.41
▸ GABRA2 P47869 4/20 0.41
▸ GABRA6 Q16445 4/20 0.41
▸ GABRG2 P18507 3/20 0.41
▸ GABRB3 P28472 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GMNN O75496 1/20 0.41

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
SCHEMBL11546703 0.80 TNKS2 (0.46) KDM4EGAAALDH1A1MAPTMEN1
SCHEMBL8198142 0.79 MEN1 (0.56) PDE3BPDE3AKDM4EGAAPOLB
SCHEMBL11551636 0.76 SRC (0.56) PDE3BPDE3AKDM4EGAAPOLB
SCHEMBL8643555 0.73 GABRA1 (0.43) PDE3BPDE3AKDM4EGABRA1GABRA5
SCHEMBL11546756 0.71 SRC (0.47) PDE3BPDE3AKDM4EGAAPOLB
SCHEMBL13343441 0.69 KDM4E (0.53) PDE3BPDE3AKDM4EGAAGABRA1
SCHEMBL7698174 0.67 PDE3B (0.47) PDE3BPDE3AKDM4EPOLBTSHR
Pirolate SCHEMBL11546568 0.67 SRC (0.51) PDE3BPDE3AKDM4EGAAGABRA1
SCHEMBL27167377 0.67 KDM4E (0.72) PDE3BPDE3AKDM4EGAAALDH1A1
SCHEMBL11549583 0.66 SRC (0.56) PDE3BPDE3AKDM4EGAAPOLB

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-4134981-A ANTIALLERGENS PFIZER INC. (US) 1979-01-16 — — US disclosed
US-4120962-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1978-10-17 — — US disclosed
US-3974161-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1976-08-10 — — US disclosed
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