SCHEMBL7465631

SCHEMBL7465631

O=C(CCc1oc(Sc2ccccn2)nc1-c1ccc(Cl)cc1)NCCCl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HPGD P15428 1/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
ENPP2 Q13822 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
SCHEMBL8307912 0.87 HPGD (0.39) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL7453967 0.85 RXRA (0.49) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL5212654 0.84 L3MBTL1 (0.40) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL7452841 0.80 LMNA (0.47) SMN1; SMN2RAB9AHPGDKMT2AMEN1
SCHEMBL1362235 0.79 L3MBTL1 (0.43) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL5210972 0.77 TP53 (0.39) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL5210981 0.76 RAB9A (0.41) SMN1; SMN2NPC1RAB9AHPGDKMT2A
SCHEMBL7458187 0.74 L3MBTL1 (0.40) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL5212017 0.74 RXRA (0.49) HPGDLMNAMAPTALDH1A1RXRA
SCHEMBL5213090 0.73 NR4A2 (0.39) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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 5 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
EP-0891340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-01-20 EP disclosed
WO-1997036882-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-09 WO disclosed