SCHEMBL3810263

SCHEMBL3810263

NC(=O)c1nccn1CS

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ARG1 P05089 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAP2K3 P46734 2/20 0.33
ESR1 P03372 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
TSHR P16473 2/20 0.31
MAPK14 Q16539 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MC4R P32245 1/20 0.31
ADRA1A P35348 1/20 0.31
MC3R P41968 1/20 0.31
KDM4E B2RXH2 1/20 0.30
FDPS P14324 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL31210326 0.85 ARG1 (0.39) ALDH1A1ARG1SMN1; SMN2MAP2K3ESR1
SCHEMBL4314338 0.81 SMN1; SMN2 (0.39) ALDH1A1ARG1SMN1; SMN2RAB9ANPC1
SCHEMBL27845254 0.78 TLR8 (0.42) ALDH1A1ARG1SMN1; SMN2FLT1KDR
SCHEMBL4333586 0.77 SMN1; SMN2 (0.33) ALDH1A1ARG1SMN1; SMN2ESR1RAB9A
SCHEMBL7362579 0.77 ALDH1A1 (0.33) ALDH1A1ARG1SMN1; SMN2ESR1RAB9A
SCHEMBL18839651 0.75 KDM4E (0.44) ALDH1A1SMN1; SMN2NPC1KDM4EOPRK1
SCHEMBL4327360 0.75 HTT (0.33) ALDH1A1ARG1SMN1; SMN2RAB9ANPC1
SCHEMBL4325015 0.74 SIRT2 (0.38) ALDH1A1ARG1OPRD1OPRK1
SCHEMBL3313595 0.74 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL10421136 0.74 F13A1 (0.40) ALDH1A1ARG1SMN1; SMN2ESR1FLT1

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-2010042514-A1 NANOPORE AND CARBON NANOTUBE BASED DNA SEQUENCER AND A SERIAL RECOGNITION ELEMENTS ARIZONA BOARD OF REGENTS (US) 2010-04-15 WO disclosed