SCHEMBL8915482

SCHEMBL8915482

S=C(NCCOc1ccccc1)Nc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
XBP1 P17861 1/20 0.62
LMNA P02545 7/20 0.57
ALDH1A1 P00352 6/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
RAB9A P51151 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CA9 Q16790 1/20 0.55
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 4/20 0.51
ALOX12 P18054 2/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL8915354 0.96 L3MBTL1 (0.59) SMN1; SMN2NPSR1XBP1LMNAALDH1A1
SCHEMBL8915664 0.92 L3MBTL1 (0.58) SMN1; SMN2NPSR1XBP1LMNAALDH1A1
SCHEMBL8916892 0.91 L3MBTL1 (0.56) SMN1; SMN2NPSR1XBP1LMNAALDH1A1
SCHEMBL8052257 0.91 L3MBTL1 (0.56) SMN1; SMN2NPSR1XBP1LMNAALDH1A1
SCHEMBL8917236 0.91 L3MBTL1 (0.56) SMN1; SMN2NPSR1XBP1LMNAALDH1A1
SCHEMBL8916068 0.91 L3MBTL1 (0.56) SMN1; SMN2NPSR1XBP1LMNAALDH1A1
SCHEMBL8916496 0.91 L3MBTL1 (0.56) SMN1; SMN2NPSR1XBP1LMNAALDH1A1
SCHEMBL8915349 0.86 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1XBP1LMNAALDH1A1
SCHEMBL8914946 0.85 BCL6 (0.66) SMN1; SMN2NPSR1XBP1LMNAALDH1A1
SCHEMBL6814444 0.83 SMN1; SMN2 (0.62) SMN1; SMN2NPSR1XBP1LMNAALDH1A1

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