SCHEMBL8616641

SCHEMBL8616641

CCc1ccc2nc(-c3ccccc3)cc(NC(=N)NC=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.42
NQO2 P16083 1/20 0.41
TACR3 P29371 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGFR P43088 1/20 0.39
DHODH Q02127 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL8619222 0.90 DHODH (0.45) ACP1NQO2TACR3DHODHADORA1
SCHEMBL8616494 0.87 ACP1 (0.39) ACP1NQO2TACR3DHODHABCB1
SCHEMBL8614052 0.86 CACNA2D1 (0.38) ACP1NQO2TACR3DHODHABCB1
SCHEMBL8613853 0.85 ALDH1A1 (0.52) ACP1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8615887 0.84 RAB9A (0.47) NQO2TACR3KDM4EMEN1NPC1
SCHEMBL8619654 0.84 TACR3 (0.45) ACP1TACR3KDM4EMEN1NPC1
SCHEMBL8615684 0.84 ESR1 (0.43) ACP1TACR3MEN1KMT2AABCB1
SCHEMBL8617753 0.84 ACP1 (0.51) ACP1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8617931 0.83 ACP1 (0.39) ACP1NQO2TACR3MEN1ALDH1A1
SCHEMBL8617812 0.83 MAPK1 (0.46) ACP1KDM4EMEN1ALDH1A1KMT2A

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