SCHEMBL28061404

SCHEMBL28061404

O=COC(Cc1ccccc1)Cc1c[nH]nn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
CTSK P43235 4/20 0.34
TAAR1 Q96RJ0 3/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CPA3 P15088 1/20 0.31
FOLH1 Q04609 1/20 0.31
SRR Q9GZT4 1/20 0.30
ACP3 P15309 1/20 0.30
SLC18A2 Q05940 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL18085416 0.81 EPHX1 (0.48) EPHX1CTSKTAAR1CYP1A2MEN1
SCHEMBL27998281 0.80
SCHEMBL28074772 0.79 CTSK (0.36) EPHX1CTSKTAAR1CYP1A2MEN1
SCHEMBL28045730 0.78 CTSK (0.37) EPHX1CTSKTAAR1CYP1A2MEN1
SCHEMBL28045695 0.76 CTSK (0.34) EPHX1CTSKTAAR1CYP1A2MEN1
SCHEMBL28039334 0.74 CTSK (0.32) CTSKCTSLCTSB
SCHEMBL28113598 0.74 CTSK (0.34) EPHX1CTSKTAAR1CYP1A2MEN1
SCHEMBL28103059 0.74 CTSK (0.34) EPHX1CTSKTAAR1CYP1A2MEN1
SCHEMBL28126964 0.72
SCHEMBL12630161 0.70 ACE (0.44) EPHX1CTSKTAAR1CYP1A2MEN1

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-102803252-B Be used for the treatment of indole amides derivative and the related compound thereof of neurodegenerative disorders K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-05-25 CN disclosed