SCHEMBL9201272

SCHEMBL9201272

Cc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(Nc1cccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1F)CC3

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CD38 P28907 2/20 0.33
PDE10A Q9Y233 3/20 0.32
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 3/20 0.31
POLB P06746 3/20 0.31
MEN1 O00255 2/20 0.31
CXCR2 P25025 1/20 0.30
LMNA P02545 2/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8784252 0.91 EIF4EBP1 (0.34) CYP3A4CYP2C9CD38PDE10AALDH1A1
SCHEMBL8784371 0.89 EIF4EBP1 (0.31) PDE10AALDH1A1KMT2AKDM4EPOLB
SCHEMBL9207419 0.87 CD38 (0.34) CYP3A4CYP2C9CD38PDE10AALDH1A1
SCHEMBL6950342 0.85 KMT2A (0.37) CYP3A4CYP2C9CD38PDE10AALDH1A1
SCHEMBL8783501 0.85 KMT2A (0.30) KMT2A
SCHEMBL9206247 0.85 KMT2A (0.34) CYP3A4CYP2C9CD38PDE10AALDH1A1
SCHEMBL8783227 0.85 CD38 (0.40) CYP3A4CYP2C9CD38PDE10AALDH1A1
SCHEMBL9200498 0.84 EIF4EBP1 (0.33) CYP3A4CYP2C9PDE10AALDH1A1KMT2A
SCHEMBL9207426 0.83 EIF4EBP1 (0.34) PDE10AALDH1A1KMT2AKDM4EPOLB
SCHEMBL8784818 0.81 ACHE (0.31)

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
EP-0667864-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY. ZENECA LTD (GB) 1995-08-23 EP disclosed
WO-1994011354-A1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LIMITED (GB) 1994-05-26 WO disclosed