SCHEMBL8613899

SCHEMBL8613899

Cc1ccccc1-c1cc(C(=O)O)c2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
POLB P06746 3/20 0.68
KDM4E B2RXH2 7/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 1/20 0.65
PDE10A Q9Y233 1/20 0.65
ALDH1A1 P00352 3/20 0.64
DHODH Q02127 4/20 0.63
HTT P42858 1/20 0.62
HPGD P15428 2/20 0.61
TACR3 P29371 1/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60

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
SCHEMBL29788464 1.00 MEN1 (0.71) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL8618627 0.87 ALDH1A1 (0.65) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL19508777 0.86 TACR3 (0.65) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL8324531 0.86 MEN1 (0.77) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL5526710 0.85 CYP2C9 (0.69) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL27810072 0.84 KMT2A (0.69) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL18746 0.84 KDM4E (0.83) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL29359819 0.84 KDM4E (0.83) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL19520848 0.83 MEN1 (0.73) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL8616465 0.83 CYP2C9 (0.61) MEN1KMT2APOLBKDM4ESMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574530-B ACC inhibitor and medical application thereof 徐州医科大学 2022-07-26 CN disclosed
CN-111574530-A ACC inhibitor and medical application thereof 徐州医科大学 2020-08-25 CN disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
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