SCHEMBL8013228

SCHEMBL8013228

Clc1ccc2nc(Cl)nc(OCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.52
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE2A O00408 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
POLB P06746 1/20 0.41
BRS3 P32247 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
SCHEMBL7797866 0.79 PDE4A (0.70) PDE5AKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6943659 0.77 PDE5A (0.48) PDE5AKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4924574 0.77 PDE5A (0.72) PDE5AKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL8668740 0.77 ALDH1A1 (0.48) PDE5AKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL7505789 0.75 PDE5A (0.57) PDE5AKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL27364625 0.71 MPO (0.53) PDE5AKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL27382271 0.71 PDE5A (0.49) PDE5AKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL11047374 0.70 CHEK1 (0.41) ALDH1A1SMN1; SMN2HTTPOLBKDM4E
SCHEMBL7797433 0.70 PDE5A (0.48) PDE5AKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL7797387 0.70 PDE5A (0.62) PDE5AKMT2AALDH1A1MEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046206-A Method of treating a patient having a precancerous lesions with amide quinazoline derivatives CELL PATHWAYS, INC. (US) 2000-04-04 US disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 EP disclosed