SCHEMBL4769604

SCHEMBL4769604

Cc1ccc(OC(=O)Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 2/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALOX5 P09917 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8672684 0.84 ALDH1A1 (0.32) DAOALDH1A1
SCHEMBL11788283 0.81 LMNA (0.43) DAOALDH1A1POLBHPGDNPC1
SCHEMBL1937347 0.81 DAO (0.48) DAOALDH1A1POLBHPGDCASP3
SCHEMBL25352415 0.79 DAO (0.42) DAOALDH1A1POLBHPGDCASP3
SCHEMBL10740706 0.78 KMT2A (0.42) DAOALDH1A1POLBHPGDCASP3
SCHEMBL9574960 0.78 DAO (0.41) DAOALDH1A1POLBHPGDNPC1
SCHEMBL1024697 0.77 F2 (0.43) DAOALDH1A1POLBHPGDCASP3
SCHEMBL9817948 0.75 CES2 (0.43) DAOALDH1A1POLBHPGDNPC1
SCHEMBL20357540 0.73 DAO (0.37) DAOALDH1A1POLBHPGDNPC1
SCHEMBL6678662 0.69 MAPT (0.39) ALDH1A1POLBCASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709043-B1 PYRROLOPYRIDINE-SUBSTITUTED BENZOL DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2008-12-03 EP disclosed
EP-1709043-A1 PYRROLOPYRIDINE-SUBSTITUTED BENZOL DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2006-10-11 EP disclosed
WO-2005058891-A1 PYRROLOPYRIDINE-SUBSTITUTED BENZOL DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-06-30 WO disclosed
EP-0599203-A1 N,N-disubstituted arylcycloacrylamines, their salts, medicines containing these compounds and their use as well as processes for their preparation Dr. Karl Thomae GmbH (DE) 1994-06-01 EP disclosed
EP-0098486-B1 QUINOLINE DERIVATIVES, METHOD FOR THEIR PREPARATION, MICROBICIDES CONTAINING THEM, AND THEIR USE IN COMBATING FUNGI BASF Aktiengesellschaft (DE) 1986-09-03 EP disclosed
EP-0098486-A1 Quinoline derivatives, method for their preparation, microbicides containing them, and their use in combating fungi BASF Aktiengesellschaft (DE) 1984-01-18 EP disclosed