SCHEMBL7865740

SCHEMBL7865740

CCOc1ccc(N)cc1Cl.COc1ccc(N)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
GAA P10253 4/20 0.58
KDM4E B2RXH2 2/20 0.58
ERN1 O75460 1/20 0.41
ATM Q13315 2/20 0.40
RORC P51449 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL1428472 0.86 MAPT (0.59) MAPTGAAKDM4EATMRORC
SCHEMBL2912192 0.82 MAPT (0.59) MAPTGAAKDM4EATMRAB9A
SCHEMBL110681 0.80 ALDH1A1 (0.52) MAPTGAAKDM4EL3MBTL1MEN1
SCHEMBL29534931 0.80 ALDH1A1 (0.52) MAPTGAAKDM4EL3MBTL1MEN1
Hydrochloric Acid SCHEMBL15486482 0.79 MAPT (0.53) MAPTGAAKDM4EATML3MBTL1
SCHEMBL7865742 0.78 RORC (0.52) MAPTGAAKDM4EERN1ATM
Benzene SCHEMBL28800866 0.77 CYP1A2 (0.50) MAPTGAAKDM4EL3MBTL1HTT
SCHEMBL77110 0.77 MEN1 (0.57) MAPTGAAKDM4ERAB9AMEN1
SCHEMBL29393582 0.77 MEN1 (0.57) MAPTGAAKDM4ERAB9AMEN1
SCHEMBL1159205 0.76 GAA (0.96) MAPTGAAKDM4EATMMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed