SCHEMBL6594403

SCHEMBL6594403

O=[N+]([O-])c1ccc2c(Cl)nnc(NCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 1.00
MAPT P10636 3/20 0.59
KMT2A Q03164 5/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 4/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MCHR1 Q99705 1/20 0.47

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
SCHEMBL7911677 0.96 PDE5A (1.00) PDE5AMAPTKMT2APOLBSMN1; SMN2
SCHEMBL7914736 0.84 PDE5A (0.74) PDE5AMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL7420304 0.81 PDE5A (0.68) PDE5AMAPTKMT2APOLBSMN1; SMN2
SCHEMBL6598949 0.81 PDE5A (0.67) PDE5AMAPTKMT2APOLBSMN1; SMN2
SCHEMBL6598417 0.79 PDE5A (0.72) PDE5AMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL8620057 0.79 PDE5A (0.71) PDE5AMAPTKMT2APOLBMEN1
SCHEMBL6594786 0.79 PDE5A (1.00) PDE5AKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL9921503 0.78 PDE5A (0.69) PDE5AMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL6593409 0.78 PDE5A (0.63) PDE5AMAPTKMT2APOLBSMN1; SMN2
SCHEMBL6594486 0.78 PDE5A (0.63) PDE5AMAPTKMT2APOLBSMN1; 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 8 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 claimed
EP-0722936-B1 FUSED PYRIDAZINE COMPOUND EISAI CO LTD (JP) 2004-05-19 EP disclosed
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
US-5719303-A USEFUL FOR MEDICALLY TREATING HYPERLIPEMIA EISAI CO., LTD. (JP) 1998-02-17 US disclosed
EP-0722936-A1 FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1996-07-24 EP disclosed
EP-0688325-A1 PHOSPHONIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1995-12-27 EP disclosed
WO-1994020508-A1 PHOSPHONIC ACID DERIVATIVES EISAI CO., LTD. (JP) 1994-09-15 WO disclosed