SCHEMBL8916683

SCHEMBL8916683

N#CNC(S)=Nc1cncc(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 8/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ROCK1 Q13464 1/20 0.30

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
SCHEMBL7898821 0.76 HTR3E (0.50) KCNJ11POLBFNTAFNTB
SCHEMBL4582736 0.67 KMT2A (0.44) KCNJ11
SCHEMBL6954705 0.66 MPI (0.37) KCNJ11KDM4EPOLB
SCHEMBL6954707 0.66 MPI (0.37) KCNJ11KDM4EPOLB
SCHEMBL10999037 0.66 KDM4E (0.62) KDM4EPOLBHCAR2SMYD3ROCK1
SCHEMBL8916679 0.66 KCNJ11 (0.36) KCNJ11KDM4EPOLBHCAR2CYP11B1
SCHEMBL8916672 0.66 KCNJ11 (0.36) KCNJ11KDM4EPOLBHCAR2CYP11B1
SCHEMBL3044767 0.61 POLB (0.39) KDM4EPOLBHCAR2SMYD3ROCK1
SCHEMBL30804042 0.61 POLB (0.35) KDM4EPOLBHCAR2
SCHEMBL21209312 0.59 POLB (0.36) KDM4EPOLBHCAR2

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-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed
US-5563160-A NERVOUS SYSTEM DISORDERS, ANTIHISTAMINE, ANTIALLERGENS Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktieselskab) (DK) 1996-10-08 US disclosed
EP-0660823-B1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS LEO PHARM PROD LTD (DK) 1996-08-14 EP disclosed
EP-0660823-A1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS. LEO PHARM PROD LTD (DK) 1995-07-05 EP disclosed
WO-1994006770-A1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1994-03-31 WO disclosed