SCHEMBL8303733

SCHEMBL8303733

Cc1ccc(OC(=O)Cl)c2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
ALOX12 P18054 2/20 0.50
CYP3A4 P08684 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 3/20 0.45
SLC6A2 P23975 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CCR6 P51684 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 3/20 0.43
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.41
PSMD14 O00487 1/20 0.41
COPS5 Q92905 1/20 0.41

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
SCHEMBL6976134 0.86 KDM4E (0.48) KDM4EALOX12CYP3A4TDP1GAA
SCHEMBL6970751 0.82 KDM4E (0.47) KDM4EALOX12CYP3A4TDP1GAA
SCHEMBL13036181 0.77 KMT2A (0.50) KDM4ETDP1MEN1KMT2ASMN1; SMN2
SCHEMBL7982959 0.76 MEN1 (0.50) KDM4EALOX12CYP3A4TDP1MEN1
SCHEMBL10488788 0.74 KDM4E (0.77) KDM4EALOX12CYP3A4TDP1GAA
SCHEMBL12180599 0.73 MEN1 (0.50) KDM4EALOX12CYP3A4TDP1GAA
SCHEMBL812451 0.72 HTT (0.70) KDM4ECYP3A4TDP1MEN1KMT2A
SCHEMBL10773502 0.72 TSHR (0.50) TDP1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL23714062 0.72 MEN1 (0.45) KDM4EALOX12CYP3A4TDP1MEN1
SCHEMBL11912045 0.71 MEN1 (0.51) KDM4EALOX12CYP3A4TDP1GAA

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-0929546-A1 4-HETAROYLPYRAZOL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998012192-A1 4-HETAROYLPYRAZOL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed