SCHEMBL8615489

SCHEMBL8615489

Cc1ccccc1-c1cc(NC(=N)NC=O)c2c(OC(C)(C)C)cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
HTT P42858 2/20 0.34
TACR3 P29371 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
ACP1 P24666 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
ELANE P08246 2/20 0.31
HCRTR1 O43613 1/20 0.30
TP53 P04637 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
SCHEMBL8619913 0.89 TGFBR1 (0.39) HTTTACR3MEN1KMT2APOLB
SCHEMBL8620877 0.87 HTT (0.39) HTTTACR3MEN1KMT2APOLB
SCHEMBL8615341 0.87 MEN1 (0.39) HTTTACR3MEN1KMT2AALDH1A1
SCHEMBL8614832 0.87 MEN1 (0.33) HTTTACR3MEN1KMT2APOLB
SCHEMBL8613690 0.85 ELANE (0.42) HTTTACR3MEN1KMT2APOLB
SCHEMBL8613232 0.85 TACR3 (0.36) HTTTACR3MEN1KMT2APOLB
SCHEMBL8619973 0.85 TACR3 (0.34) HTTTACR3MEN1KMT2APOLB
SCHEMBL8618522 0.85 ABL1 (0.36) HTTTACR3MEN1KMT2AALDH1A1
SCHEMBL8613404 0.84 HTT (0.37) HTTTACR3MEN1KMT2APOLB
SCHEMBL8620858 0.84 MAPT (0.41) HTTTACR3MEN1KMT2APOLB

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
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed