SCHEMBL9722704

SCHEMBL9722704

Cc1cc(Br)cc(C)c1OCC(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 9/20 0.49
CYP1A2 P05177 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP2D6 P10635 1/20 0.49
POLB P06746 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
FAAH O00519 2/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL11570117 0.83 MAPT (0.47) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL3201351 0.83 KMT2A (0.55) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL3190087 0.83 MEN1 (0.59) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL15516697 0.80 KMT2A (0.56) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL9722681 0.79 KDM4E (0.46) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL7028752 0.79 ALDH1A1 (0.58) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL15517970 0.77 KMT2A (0.61) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL2058983 0.77 KMT2A (0.54) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL941531 0.71 KMT2A (0.45) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL3182203 0.71 KMT2A (0.53) MEN1KMT2AALDH1A1CYP1A2KDM4E

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-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 US disclosed