SCHEMBL7914736

SCHEMBL7914736

Clc1ccc2c(Cl)nnc(NCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.74
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CLK4 Q9HAZ1 2/20 0.51
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAP2K4 P45985 1/20 0.50
PDE2A O00408 1/20 0.48
PDE1A P54750 1/20 0.48

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
SCHEMBL6598417 0.95 PDE5A (0.72) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6594786 0.85 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6594403 0.84 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7911677 0.79 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL31038289 0.78 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7495950 0.78 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL31034788 0.78 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2458882 0.78 PDE5A (1.00) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4924574 0.78 PDE5A (0.72) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6594377 0.77 PDE4A (0.72) PDE5AMEN1ALDH1A1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218392-B1 FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, MYOCARDIAL INFARCT AND CHRONIC AND ACUTE CARDIAC FAILURE, PULMONARY HYPERTENSION, ARTERIOSCLEROSIS AND BRONCHIAL ASTHMA EISAI CO., LTD. (JP) 2001-04-17 US disclosed
US-5849741-A Fused pyridazine compounds EISAI CO., LTD. (JP) 1998-12-15 US disclosed
EP-0722936-A1 FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1996-07-24 EP disclosed