SCHEMBL11834741

SCHEMBL11834741

OCCCNc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.76
MEN1 O00255 3/20 0.76
PDE5A O76074 2/20 0.66
MAPK1 P28482 2/20 0.60
POLB P06746 3/20 0.58
SLC2A1 P11166 2/20 0.56
ACP1 P24666 1/20 0.55
ALDH1A1 P00352 2/20 0.54
RAD52 P43351 2/20 0.54
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
GBA1 P04062 1/20 0.51
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 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
SCHEMBL11845231 0.90 SLC2A1 (0.62) KMT2AMEN1PDE5AMAPK1POLB
Hydrochloric Acid SCHEMBL11835156 0.82 ACP1 (0.73) KMT2AMEN1MAPK1POLBACP1
SCHEMBL12176096 0.81 MEN1 (0.71) KMT2AMEN1PDE5AMAPK1POLB
SCHEMBL11836022 0.81 ACP1 (0.51) KMT2AMEN1PDE5AMAPK1POLB
SCHEMBL3459768 0.80 PDE5A (0.76) KMT2AMEN1PDE5AMAPK1POLB
SCHEMBL4893021 0.80 PDE5A (1.00) KMT2AMEN1PDE5AMAPK1POLB
SCHEMBL4864398 0.79 MEN1 (0.85) KMT2AMEN1PDE5AMAPK1POLB
SCHEMBL7330423 0.78 KMT2A (0.67) KMT2AMEN1PDE5AMAPK1POLB
SCHEMBL23748374 0.77 PDE5A (0.67) KMT2AMEN1PDE5AMAPK1POLB
SCHEMBL5100868 0.77 PDE5A (0.72) KMT2AMEN1PDE5AMAPK1ACP1

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-3997538-A BACTERICIDE MORTON-NORWICH PRODUCTS, INC. (US) 1976-12-14 US disclosed