SCHEMBL12892158

SCHEMBL12892158

CNC(=S)N/N=C/c1cc(Br)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.73
KDM4E B2RXH2 11/20 0.73
MAPT P10636 9/20 0.73
MEN1 O00255 6/20 0.73
LMNA P02545 5/20 0.73
L3MBTL1 Q9Y468 4/20 0.73
HTT P42858 4/20 0.73
HPGD P15428 2/20 0.73
MAPK1 P28482 2/20 0.73
ALDH1A1 P00352 2/20 0.73
ALOX12 P18054 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
POLB P06746 1/20 0.62
GAA P10253 1/20 0.61
ATM Q13315 1/20 0.60
RAB9A P51151 4/20 0.55
PIK3CG P48736 1/20 0.54
ASF1A Q9Y294 2/20 0.53
NPC1 O15118 2/20 0.53
MITF O75030 2/20 0.53

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
SCHEMBL14535582 0.82 KMT2A (0.70) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL6645832 0.82 KDM4E (0.73) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL6645830 0.82 KDM4E (0.73) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL30495458 0.79 KMT2A (0.69) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL31393968 0.79 KMT2A (0.74) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL17438107 0.79 KMT2A (0.68) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL12316772 0.79 KMT2A (0.68) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL13478299 0.78 KMT2A (0.77) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL17438105 0.78 KMT2A (0.77) KMT2AKDM4EMAPTMEN1LMNA
SCHEMBL20847078 0.78 KDM4E (0.66) KMT2AKDM4EMAPTMEN1LMNA

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
US-7893108-B2 Antiviral methods and compositions PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-02-22 US disclosed