SCHEMBL7456546

SCHEMBL7456546

CC(C(=O)O)c1oc(Sc2nccn2-c2ccccc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
NR4A1 P22736 1/20 0.35
NR4A2 P43354 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
SCHEMBL7467486 0.85 KMT2A (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7459166 0.81 MAOA (0.41) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL7453978 0.80 L3MBTL1 (0.41) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7456534 0.79 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7462764 0.77 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7468230 0.77 MAOA (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7463350 0.76 MAOA (0.44) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6606357 0.75 MAOA (0.39) RAB9A
SCHEMBL7457919 0.75 MAOA (0.44) ALDH1A1KMT2ACYP2C9CYP2C19RAB9A
SCHEMBL7462406 0.74 MAOA (0.40) CYP2C9CYP2C19RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498179-B1 SUCH AS 4-(4-CHLOROPHENYL)-5-(3-(2-METHOXYPHENOXY)PROPYL)-2-(2-METHYL-1 -IMIDAZOLYL)OXAZOLE; INSULIN SECERTION PROMOTING AND BLOOD SUGAR DEPRESSING EFFECT; DIABETES; LOW TOXICITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-24 US disclosed
EP-0891340-B1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
US-6177452-B1 ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-23 US disclosed