SCHEMBL27466740

SCHEMBL27466740

CCOC(=O)C1CCN(c2nnc(Cc3ccc(OC)c(Cl)c3)c3c(N)c([N+](=O)[O-])ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.47
POLB P06746 1/20 0.46
VCAM1 P19320 1/20 0.45
CTSB P07858 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL27504953 0.91 POLB (0.48) PDE5APOLBALDH1A1HTTKDM4E
SCHEMBL27504951 0.87 PDE5A (0.50) PDE5A
SCHEMBL27447978 0.86 PDE5A (0.51) PDE5A
Ammonia Solution, Strong SCHEMBL27466741 0.86 PDE5A (0.60) PDE5APOLBVCAM1MAPTALDH1A1
SCHEMBL27504655 0.85 PDE5A (0.44) PDE5A
SCHEMBL27466245 0.83 PDE5A (0.51) PDE5AALDH1A1
SCHEMBL27468605 0.77 PDE5A (0.51) PDE5AALDH1A1
Hydrochloric Acid SCHEMBL7914734 0.77 PDE5A (0.60) PDE5A
SCHEMBL6597884 0.77 PDE5A (0.80) PDE5A
SCHEMBL27548037 0.77 PDE5A (0.55) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1151136-C Condensed pyridazine compound ������������ʽ���� 2004-05-26 CN disclosed
CN-1135210-A Fused pyridazine compound EISAI CO LTD (JP) 1996-11-06 CN disclosed