SCHEMBL17074442

SCHEMBL17074442

CCOC(=O)OC1=C(B2OC(C)(C)C(C)(C)O2)CN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SIGMAR1 Q99720 4/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38

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
SCHEMBL17074445 0.92 MEN1 (0.43) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL2483520 0.84 MEN1 (0.48) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL2486254 0.82 MEN1 (0.48) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL31288129 0.77 SLC6A5 (0.38) MEN1KMT2ALMNASIGMAR1NPC1
SCHEMBL17074443 0.73 CYP3A4 (0.44) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL17074434 0.73 CYP3A4 (0.44) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL14710355 0.68 OPRM1 (0.46) KDM4ECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4405414 0.68 TMEM97 (0.45) MEN1KMT2ASMN1; SMN2SIGMAR1CYP3A4
SCHEMBL6994227 0.68 KMT2A (0.47) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL20300563 0.67 MEN1 (0.57) MEN1KMT2ALMNAMAPTADORA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367821-B1 C-RING MODIFIED TRICYCLIC BENZONAPHTHIRIDINONE PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2015-09-16 — — EP claimed
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