SCHEMBL7800054

SCHEMBL7800054

Sc1ccc(Br)c2ccccc12.[KH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
HTR6 P50406 2/20 0.37
PKM P14618 1/20 0.35
PRNP P04156 2/20 0.33
CYP1A2 P05177 1/20 0.33
PLAU P00749 1/20 0.33
PARP1 P09874 1/20 0.33
EPHX1 P07099 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
APAF1 O14727 2/20 0.31
TDP2 O95551 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL1393656 0.97 RXFP1 (0.39) RXFP1HTR6PKMPRNPCYP1A2
SCHEMBL3440573 0.82 PARP1 (0.43) RXFP1PRNPPLAUPARP1KMT2A
SCHEMBL30710586 0.81 RXFP1 (0.48) RXFP1HTR6PKMPRNPCYP1A2
SCHEMBL331123 0.81 CYP2A6 (0.39) CYP1A2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL29429114 0.81 RXFP1 (0.48) RXFP1HTR6PKMPRNPCYP1A2
SCHEMBL198796 0.81 RXFP1 (0.48) RXFP1HTR6PKMPRNPCYP1A2
SCHEMBL29649174 0.81 CYP2A6 (0.39) CYP1A2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13632075 0.73 CYP1A2 (0.47) RXFP1HTR6PKMPRNPCYP1A2
SCHEMBL13631978 0.73 CYP1A2 (0.47) RXFP1HTR6PKMPRNPCYP1A2
SCHEMBL30052553 0.73 CYP1A2 (0.47) RXFP1HTR6PKMPRNPCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027353-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1027353-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-16 EP disclosed
WO-1999018107-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-15 WO disclosed