SCHEMBL8715533

SCHEMBL8715533

Cc1ccc(O)c(C(=NOC(C)(C)C)c2ncccc2C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
MAPK1 P28482 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
AR P10275 2/20 0.33
PKM P14618 1/20 0.32
HTT P42858 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HSP90AA1 P07900 2/20 0.32
MMP14 P50281 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL8715532 1.00 MAPT (0.37) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL8712087 0.89 KDM4C (0.32) KMT2APKM
SCHEMBL8715196 0.89 KDM4C (0.32) KMT2APKM
SCHEMBL8710693 0.88 MEN1 (0.35) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8710689 0.88 MEN1 (0.35) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8713451 0.86 ELANE (0.34) KDM4ERECQLL3MBTL1ELANE
SCHEMBL8713450 0.86 ELANE (0.34) KDM4ERECQLL3MBTL1ELANE
SCHEMBL8710049 0.86 MAPT (0.35) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL8710053 0.86 MAPT (0.35) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL8709849 0.85 TLR7 (0.36) MAPTPOLBAR

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-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed