SCHEMBL411282

SCHEMBL411282

CSc1ccc(NC2CCN(C(=O)O)CC2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.44
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AR P10275 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL381559 0.87 ALDH1A1 (0.59) EPHX2KDM4ELMNAALDH1A1NPC1
SCHEMBL17941592 0.79 TRPA1 (0.50) RHOCRHOAAR
SCHEMBL3786166 0.78 AR (0.50) RHOCRHOALMNAALDH1A1MAPK1
SCHEMBL12041409 0.78 KHK (0.43) LMNAMAPK1AR
SCHEMBL12947525 0.77 EPHX2 (0.40) EPHX2RHOCRHOAKDM4ELMNA
SCHEMBL12042459 0.77 HTR7 (0.42) EPHX2LMNAMAPT
Hydrochloric Acid SCHEMBL381966 0.77 KHK (0.42) LMNAMAPK1AR
SCHEMBL12042460 0.76 HTR7 (0.51) EPHX2RHOCRHOALMNAMAPT
SCHEMBL15354211 0.76 EPHX2 (0.40) EPHX2KDM4ELMNAAR
SCHEMBL14562834 0.76 RHOC (0.58) EPHX2RHOCRHOA

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-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO disclosed