SCHEMBL22914929

SCHEMBL22914929

Cc1ccc(Cl)cc1NC(=O)c1cn(-c2cc(O)cc(C(F)(F)F)c2)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDT P30046 3/20 0.49
APP P05067 1/20 0.48
MAPT P10636 4/20 0.45
NOTUM Q6P988 1/20 0.41
NPY5R Q15761 1/20 0.41
CSF1R P07333 5/20 0.41
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
P2RY14 Q15391 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL29709858 1.00 DDT (0.49) DDTAPPMAPTNOTUMNPY5R
SCHEMBL22914926 0.89 MAPT (0.51) DDTAPPMAPTLMNAHTT
SCHEMBL29709818 0.89 MAPT (0.51) DDTAPPMAPTLMNAHTT
SCHEMBL22914928 0.87 MAPT (0.47) DDTAPPMAPTLMNAHTT
SCHEMBL29709912 0.87 MAPT (0.47) DDTAPPMAPTLMNAHTT
SCHEMBL22914955 0.83 MAPT (0.52) DDTAPPMAPTLMNAHTT
SCHEMBL22914921 0.80 MAPT (0.51) DDTAPPMAPTNOTUMLMNA
SCHEMBL29709874 0.80 MAPT (0.51) DDTAPPMAPTNOTUMLMNA
SCHEMBL22914919 0.80 DDT (0.50) DDTAPPMAPTNOTUMLMNA
SCHEMBL29709845 0.80 DDT (0.50) DDTAPPMAPTNOTUMLMNA

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
WO-2021016594-A1 SECOND GENERATION INHIBITORS OF MITOCHONDRIAL PERMEABILITY TRANSITION PORE WITH IMPROVED PLASMA STABILITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-01-28 WO disclosed