SCHEMBL30106375

SCHEMBL30106375

O=C(c1nc(-c2ccc(C(F)(F)F)cc2)oc1-c1ccccc1[N+](=O)[O-])N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 3/20 0.45
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
IKBKB O14920 1/20 0.40
THRA P10827 1/20 0.39

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
SCHEMBL27189100 0.99 EIF4E (0.46) EIF4EALDH1A1NPC1RAB9AMAPT
SCHEMBL27189099 0.92 EIF4E (0.41) EIF4EALDH1A1NPC1RAB9AMAPT
SCHEMBL27189072 0.92 EIF4E (0.45) EIF4ENPC1RAB9AL3MBTL1MEN1
SCHEMBL27189068 0.91 EIF4E (0.42) EIF4EALDH1A1NPC1RAB9AMAPT
SCHEMBL27189105 0.91 EIF4E (0.44) EIF4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27189104 0.91 EIF4E (0.44) EIF4EALDH1A1MAPTL3MBTL1IKBKB
SCHEMBL27189050 0.90 TRPV1 (0.50) EIF4EALDH1A1MAPTMEN1KMT2A
SCHEMBL27189052 0.89 EIF4E (0.43) EIF4EL3MBTL1MEN1KMT2AIKBKB
SCHEMBL27189043 0.89 EIF4E (0.42) EIF4ERAB9AL3MBTL1IKBKBPOLB
SCHEMBL27189075 0.88 EIF4E (0.44) EIF4EALDH1A1KDM4EPOLBCYP1A2

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
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
WO-2022255764-A1 NOVEL OXAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME FOR PREVENTION OR TREATMENT OF ALLERGIC DISEASE 주식회사 에즈큐리스 2022-12-08 WO disclosed