SCHEMBL7963906

SCHEMBL7963906

C=C(C(=O)OCCCl)c1cc(NC(=O)C2=C(C(=O)N(C)C)CCCC2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
DHODH Q02127 5/20 0.37
KDM4E B2RXH2 2/20 0.35
GSTO1 P78417 2/20 0.35
HPGD P15428 1/20 0.35
CSF1R P07333 1/20 0.35
APEX1 P27695 1/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.33
RECQL P46063 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
GRM4 Q14833 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL7963907 0.79 NPSR1 (0.38) NPSR1DHODHKDM4EGSTO1HPGD
SCHEMBL7963909 0.78 KMT2A (0.42) NPSR1DHODHKDM4EHPGDAPEX1
SCHEMBL11246084 0.74 GRM4 (0.56) NPSR1DHODHKDM4EKMT2ALMNA
SCHEMBL11242017 0.72 GRM4 (0.43) NPSR1DHODHKDM4EAPEX1KMT2A
SCHEMBL11241892 0.71 TSHR (0.53) NPSR1DHODHKMT2ALMNAMEN1
SCHEMBL7767725 0.71 KMT2A (0.39) NPSR1DHODHKDM4EHPGDAPEX1
SCHEMBL10843167 0.68 MEN1 (0.58) NPSR1KDM4EKMT2ALMNAMEN1
SCHEMBL8637532 0.65 NPSR1 (0.40) NPSR1DHODHKDM4EKMT2ALMNA
SCHEMBL10841541 0.64 NPSR1 (0.57) NPSR1DHODHKDM4EKMT2ALMNA
SCHEMBL11130924 0.64 SLC6A2 (0.45) NPSR1KDM4EKMT2ALMNAMEN1

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-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed