SCHEMBL20529628

SCHEMBL20529628

CC(O)CNC(=S)Nc1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.65
LMNA P02545 2/20 0.65
ALOX12 P18054 1/20 0.65
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.54
CYP3A4 P08684 1/20 0.54
ALDH1A1 P00352 3/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
IDO1 P14902 1/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.50
EPHX1 P07099 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL20529629 1.00 MAPT (0.65) MAPTLMNAALOX12CYP1A2CYP2C19
SCHEMBL20529635 0.83 SMN1; SMN2 (0.57) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL20529633 0.83 SMN1; SMN2 (0.57) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL20109301 0.83 ALDH1A1 (0.59) MAPTLMNAALOX12SMN1; SMN2MEN1
SCHEMBL31192807 0.83 ALDH1A1 (0.59) MAPTLMNAALOX12SMN1; SMN2MEN1
SCHEMBL20529687 0.81 GAA (0.61) MAPTLMNAALOX12SMN1; SMN2MEN1
SCHEMBL20529688 0.81 GAA (0.61) MAPTLMNAALOX12SMN1; SMN2MEN1
SCHEMBL11072927 0.79 CYP1A2 (0.74) MAPTLMNAALOX12CYP1A2CYP2C19
SCHEMBL8956609 0.78 CYP1A2 (0.79) MAPTLMNAALOX12CYP1A2CYP2C19
SCHEMBL5455602 0.75 MAPT (0.83) MAPTLMNACYP1A2CYP2C19CYP2C9

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-2018187414-A1 INHIBITORS OF MTOR-RICTOR INTERACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-11 WO disclosed