SCHEMBL8620632

SCHEMBL8620632

COc1cccc2nc(-c3ccccc3)cc(NC(=N)NC=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TGFBR1 P36897 1/20 0.43
ABCB1 P08183 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
ALDH1A1 P00352 3/20 0.43
TRPV1 Q8NER1 1/20 0.42
NQO2 P16083 1/20 0.42
ABCC1 P33527 1/20 0.40
DHODH Q02127 1/20 0.40
ACP1 P24666 2/20 0.40
PDE10A Q9Y233 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 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
SCHEMBL8618655 0.89 PDE10A (0.45) HPGDLMNASMN1; SMN2ABCB1ABCG2
SCHEMBL8618666 0.88 KDM4E (0.44) HPGDLMNASMN1; SMN2ABCB1ABCG2
SCHEMBL8617947 0.88 MEN1 (0.43) HPGDLMNASMN1; SMN2ALDH1A1TRPV1
SCHEMBL8619913 0.87 TGFBR1 (0.39) HPGDLMNASMN1; SMN2TGFBR1ALDH1A1
SCHEMBL8614352 0.86 PDE10A (0.43) HPGDLMNASMN1; SMN2ALDH1A1PDE10A
SCHEMBL8618937 0.86 PTGER4 (0.46) ABCB1ABCG2ALDH1A1TRPV1ABCC1
SCHEMBL8619826 0.85 ALDH1A1 (0.44) HPGDLMNASMN1; SMN2ALDH1A1TRPV1
SCHEMBL8617724 0.84 ABCG2 (0.41) LMNASMN1; SMN2ABCB1ABCG2ABCC1
SCHEMBL8620866 0.84 ALDH1A1 (0.46) HPGDLMNASMN1; SMN2ALDH1A1TRPV1
SCHEMBL8616598 0.84 ABCG2 (0.40) LMNASMN1; SMN2ABCB1ABCG2TRPV1

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