SCHEMBL8915664

SCHEMBL8915664

S=C(NCCCCOc1ccccc1)Nc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 7/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
XBP1 P17861 1/20 0.53
CA9 Q16790 1/20 0.52
QPCT Q16769 2/20 0.52
RAB9A P51151 1/20 0.51
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51

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
SCHEMBL8916496 0.99 L3MBTL1 (0.56) L3MBTL1TSHRMAPK1LMNAALDH1A1
SCHEMBL8052257 0.99 L3MBTL1 (0.56) L3MBTL1TSHRMAPK1LMNAALDH1A1
SCHEMBL8916892 0.99 L3MBTL1 (0.56) L3MBTL1TSHRMAPK1LMNAALDH1A1
SCHEMBL8917236 0.99 L3MBTL1 (0.56) L3MBTL1TSHRMAPK1LMNAALDH1A1
SCHEMBL8916068 0.99 L3MBTL1 (0.56) L3MBTL1TSHRMAPK1LMNAALDH1A1
SCHEMBL8915354 0.96 L3MBTL1 (0.59) L3MBTL1TSHRMAPK1LMNAALDH1A1
SCHEMBL8915482 0.92 SMN1; SMN2 (0.62) L3MBTL1TSHRMAPK1LMNAALDH1A1
SCHEMBL8915350 0.86 IKBKB (0.65) L3MBTL1MAPK1LMNAALDH1A1MAPT
SCHEMBL8918351 0.86 IKBKB (0.65) L3MBTL1MAPK1LMNAALDH1A1MAPT
SCHEMBL8915611 0.86 BCL6 (0.63) MAPK1LMNAALDH1A1MAPTNPSR1

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