SCHEMBL8613404

SCHEMBL8613404

Cc1ccccc1-c1cc(NC(=N)NC=O)c2c(Br)cccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 5/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
TACR3 P29371 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL8620877 0.92 HTT (0.39) HTTKMT2AMEN1POLBHPGD
SCHEMBL8620858 0.89 MAPT (0.41) HTTKMT2AMEN1POLBHPGD
SCHEMBL8613690 0.88 ELANE (0.42) HTTKMT2AMEN1POLBHPGD
SCHEMBL8617868 0.88 HTT (0.37) HTTKMT2AMEN1POLBHPGD
SCHEMBL8619007 0.88 C1R (0.38) HTTKMT2AMEN1POLBHPGD
SCHEMBL8618049 0.87 KDM4E (0.41) HTTKMT2AMEN1POLBHPGD
SCHEMBL8619913 0.87 TGFBR1 (0.39) HTTKMT2AMEN1POLBHPGD
SCHEMBL8613761 0.85 TP53 (0.40) HTTKMT2AMEN1POLBHPGD
SCHEMBL8620892 0.84 HTT (0.47) HTTKMT2AMEN1POLBHPGD
SCHEMBL8620296 0.84 HTT (0.35) HTTKMT2AMEN1POLBHPGD

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