SCHEMBL8613232

SCHEMBL8613232

COCOc1cccc2nc(-c3ccccc3C)cc(NC(=N)NC=O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.36
TGFBR1 P36897 1/20 0.34
ACP1 P24666 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NOTUM Q6P988 2/20 0.32
PTPN1 P18031 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 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
SCHEMBL8615341 0.91 MEN1 (0.39) TACR3HTTMEN1KMT2AALDH1A1
SCHEMBL8619913 0.90 TGFBR1 (0.39) TACR3TGFBR1ACP1HTTMEN1
SCHEMBL8618522 0.89 ABL1 (0.36) TACR3HTTMEN1KMT2AALDH1A1
SCHEMBL8617124 0.88 TLR8 (0.36) TACR3ACP1HTTMEN1KMT2A
SCHEMBL8614832 0.87 MEN1 (0.33) TACR3ACP1HTTMEN1KMT2A
SCHEMBL8620877 0.85 HTT (0.39) TACR3ACP1HTTMEN1KMT2A
SCHEMBL8615489 0.85 KCNH2 (0.35) TACR3ACP1HTTMEN1KMT2A
SCHEMBL8618132 0.84 DNMT1 (0.36) TACR3ACP1HTTMEN1KMT2A
SCHEMBL8617965 0.84 NCF1 (0.33) TACR3HTTMEN1KMT2AALDH1A1
SCHEMBL8619973 0.84 TACR3 (0.34) TACR3TGFBR1ACP1HTTMEN1

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