SCHEMBL28048966

SCHEMBL28048966

NC1CCc2nc3cc(C(F)(F)F)ccc3cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.38
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ PNMT P11086 1/20 0.35
▸ AADAT Q8N5Z0 1/20 0.34
▸ CTSD P07339 2/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

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
SCHEMBL27995131 0.84 KDM4E (0.40) CTSDATMKDM4E
SCHEMBL28048968 0.80 ESR1 (0.45) BACE1KMT2AKDM4E
SCHEMBL11058817 0.68 BACE1 (0.36) BACE1CYP11B1CYP11B2HRH3CTSD
SCHEMBL12700128 0.66 ALDH1A1 (0.56) BACE1CTSDPARP1MEN1KMT2A
SCHEMBL25086408 0.64 AADAT (0.51) PNMTAADATPARP1PARP10
SCHEMBL11059013 0.62 KDM4E (0.39) BACE1HRH3CTSDATMPARP1
SCHEMBL10271356 0.62 KDM4E (0.42) BACE1CTSDPARP1MEN1KMT2A
SCHEMBL22717988 0.61 BACE1 (0.76) BACE1KDM4E
SCHEMBL22573215 0.61 BACE1 (0.46) BACE1PARP1MEN1KMT2AKDM4E
SCHEMBL30369296 0.61 BACE1 (0.46) BACE1PARP1MEN1KMT2AKDM4E

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
CN-103477224-B Blood collection device containing lysophospholipase inhibitor BECTON, DICKINSON AND CO. (US) 2015-12-23 — — CN disclosed
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