SCHEMBL8619913

SCHEMBL8619913

COc1cccc2nc(-c3ccccc3C)cc(NC(=N)NC=O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.39
ACP1 P24666 1/20 0.38
TACR3 P29371 1/20 0.37
ADORA3 P0DMS8 5/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ELANE P08246 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL8613232 0.90 TACR3 (0.36) TGFBR1ACP1TACR3ALDH1A1HPGD
SCHEMBL8620877 0.90 HTT (0.39) ACP1TACR3ALDH1A1HPGDLMNA
SCHEMBL8615489 0.89 KCNH2 (0.35) ACP1TACR3ALDH1A1HPGDMEN1
SCHEMBL8615341 0.89 MEN1 (0.39) TACR3ADORA2AALDH1A1HPGDLMNA
SCHEMBL8618956 0.89 CA12 (0.36) ACP1TACR3ADORA3ADORA2AADORA2B
SCHEMBL8620380 0.88 CA2 (0.39) ACP1TACR3ALDH1A1HPGDLMNA
SCHEMBL8620357 0.88 PDE3B (0.38) ACP1TACR3ADORA3ADORA2AADORA2B
SCHEMBL8619973 0.88 TACR3 (0.34) TGFBR1ACP1TACR3ALDH1A1HPGD
SCHEMBL8618522 0.88 ABL1 (0.36) TACR3ALDH1A1HPGDLMNAMEN1
SCHEMBL8617297 0.87 CA12 (0.35) ACP1TACR3ADORA3ALDH1A1HPGD

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