SCHEMBL29484170

SCHEMBL29484170

NC(=O)NC(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.69
NPC1 O15118 4/20 0.66
MAPT P10636 3/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 6/20 0.61
RAB9A P51151 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
NOX1 Q9Y5S8 1/20 0.53
ALOX12 P18054 2/20 0.52
HTT P42858 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51

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
Thiourea SCHEMBL1991944 0.82 MAPT (0.73) EPHX1NPC1MAPTKDM4EALDH1A1
SCHEMBL4395392 0.81 MAPT (0.61) EPHX1NPC1MAPTKDM4EALDH1A1
SCHEMBL11634169 0.81 ALDH1A1 (0.66) NPC1MAPTKDM4EALDH1A1RAB9A
SCHEMBL3083065 0.81 EPHX1 (0.67) EPHX1NPC1MAPTKDM4EALDH1A1
SCHEMBL28597947 0.81 NPC1 (0.70) EPHX1NPC1MAPTALDH1A1RAB9A
SCHEMBL6811493 0.80 ALDH1A1 (0.67) EPHX1NPC1MAPTKDM4EALDH1A1
SCHEMBL526059 0.80 MAPT (0.63) EPHX1NPC1MAPTKDM4EALDH1A1
SCHEMBL224279 0.80 NPC1 (1.00) EPHX1NPC1MAPTKDM4EALDH1A1
SCHEMBL11449846 0.80 IDO1 (0.66) NPC1MAPTALDH1A1RAB9AHTT
SCHEMBL5445907 0.80 MAPT (0.75) EPHX1NPC1MAPTKDM4EALDH1A1

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-2022055940-A1 VISTA INHIBITORS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-03-17 WO disclosed