SCHEMBL7093176

SCHEMBL7093176

O=C(Nc1n[c]cs1)c1cnccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
CDC25C P30307 1/20 0.50
PKM P14618 1/20 0.50
CCR6 P51684 1/20 0.49
TSHR P16473 1/20 0.48
ALOX15 P16050 1/20 0.47

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
SCHEMBL27830128 0.70 NPC1 (0.57) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL5062627 0.69 KDM4E (0.61) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL4797356 0.69 ALDH1A1 (0.40) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL10671618 0.69 SMN1; SMN2 (0.61) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5912479 0.69 NPC1 (0.55) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1412848 0.68 KDM4E (0.59) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL31312521 0.68 NPC1 (0.63) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL22728498 0.67 LMNA (0.78) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL1452104 0.67 RAB9A (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL3715797 0.67 KDM4E (0.57) NPC1RAB9AKDM4EGAASMN1; SMN2

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-2003082875-A2 NOVEL PODOPHYLLOTOXIN DERIVATIVES, THE PRODUCTION THEREOF AND THE USE OF THE SAME IN THERAPEUTICS POTIER PIERRE (FR) 2003-10-09 WO disclosed