SCHEMBL7459279

SCHEMBL7459279

O=C(CCc1oc(-n2ccnc2)nc1-c1ccc(Cl)cc1)NCCCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
CD38 P28907 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NAMPT P43490 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.34
NOTUM Q6P988 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NOS2 P35228 1/20 0.34
USP2 O75604 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL7464609 0.85 RXRA (0.46) PKMCD38LMNANOTUMTSHR
SCHEMBL5211444 0.83 CYP11B1 (0.42) CD38LMNANOTUMHSD17B10CYP1A2
SCHEMBL7458927 0.83 ALDH1A1 (0.42) LMNACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7463020 0.81 RXFP1 (0.39) SMN1; SMN2LMNATSHRHSD17B10CYP3A4
SCHEMBL7457881 0.80 KDM4E (0.45) SMN1; SMN2NAMPTLMNAPOLBTSHR
SCHEMBL1361930 0.78 NOTUM (0.40) CD38SMN1; SMN2NAMPTNOTUM
SCHEMBL5207078 0.78 CHRM1 (0.37) CD38LMNAHSD17B10CYP3A4CYP2D6
SCHEMBL5212143 0.76 CD38 (0.37) CD38SMN1; SMN2LMNAPOLBCYP3A4
SCHEMBL7453296 0.76 RXFP1 (0.42) SMN1; SMN2LMNAPOLBTSHRHSD17B10
SCHEMBL5212147 0.76 MAPT (0.39) CD38NAMPTLMNAPOLBCYP3A4

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