SCHEMBL8613147

SCHEMBL8613147

Cc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.71
KDM4E B2RXH2 4/20 0.70
LMNA P02545 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
PDE10A Q9Y233 1/20 0.70
POLB P06746 1/20 0.68
TP53 P04637 2/20 0.67
ALDH1A1 P00352 3/20 0.65
HPGD P15428 3/20 0.65
MAPT P10636 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
RECQL P46063 1/20 0.65
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
ATM Q13315 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
AKR1C3 P42330 1/20 0.64
AKR1C2 P52895 1/20 0.64

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
SCHEMBL4601236 0.88 DHODH (0.66) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL8240361 0.85 DHODH (0.70) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL4017739 0.85 DHODH (0.80) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL29788466 0.85 DHODH (0.80) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL2467110 0.83 DHODH (1.00) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL29536364 0.83 DHODH (1.00) DHODHKDM4ELMNASMN1; SMN2PDE10A
Cinchophen SCHEMBL25519 0.83 KDM4E (1.00) DHODHKDM4ELMNASMN1; SMN2PDE10A
Cinchophen SCHEMBL29376617 0.83 KDM4E (1.00) DHODHKDM4ELMNASMN1; SMN2PDE10A
Cinchophen SCHEMBL7588217 0.83 KDM4E (1.00) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL8614836 0.83 KDM4E (0.75) DHODHKDM4ELMNASMN1; SMN2PDE10A

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