SCHEMBL30740873

SCHEMBL30740873

CCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 7/20 0.52
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
CDC7 O00311 2/20 0.50
DBF4 Q9UBU7 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
PDCD4 Q53EL6 1/20 0.46
S1PR1 P21453 1/20 0.45
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44

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
SCHEMBL29158758 1.00 TARBP2 (0.52) TARBP2KDM4EALDH1A1HPGDCDC7
SCHEMBL6364954 0.96 TARBP2 (0.53) TARBP2KDM4EALDH1A1HPGDCDC7
SCHEMBL29158666 0.89 TARBP2 (0.54) TARBP2KDM4EALDH1A1HPGDCDC7
SCHEMBL29158606 0.88 TARBP2 (0.63) TARBP2KDM4EALDH1A1HPGDKMT2A
SCHEMBL29158621 0.85 KMT2A (0.54) TARBP2KDM4EALDH1A1HPGDKMT2A
SCHEMBL31466885 0.84 TARBP2 (0.53) TARBP2KDM4EALDH1A1HPGDKMT2A
SCHEMBL6365824 0.84 TARBP2 (0.53) TARBP2KDM4EALDH1A1HPGDKMT2A
SCHEMBL30106364 0.84 NPC1 (0.50) SMN1; SMN2NPC1KMT2AMAPTMEN1
SCHEMBL7701393 0.83 TARBP2 (0.52) TARBP2KDM4EALDH1A1HPGDKMT2A
SCHEMBL29158706 0.83 TARBP2 (0.51) TARBP2KDM4EALDH1A1HPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN claimed
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed