SCHEMBL7199402

SCHEMBL7199402

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)c4cccs4)c3[nH]2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK33 Q9BYT3 11/20 0.40
POLB P06746 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
GAPDH P04406 1/20 0.35
PARP1 P09874 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
APAF1 O14727 1/20 0.34
PPARG P37231 1/20 0.34
RECQL P46063 1/20 0.34
SMAD3 P84022 1/20 0.34
PTK2B Q14289 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL6710352 0.89 MAPT (0.42) POLBTDP1KMT2AMEN1KDM4E
SCHEMBL6710252 0.89 STK33 (0.37) STK33POLBTDP1KMT2AMEN1
SCHEMBL6711798 0.88 GPR35 (0.44) STK33POLBTDP1KMT2AMEN1
SCHEMBL6710126 0.88 STK33 (0.52) STK33POLBTDP1KMT2AMEN1
SCHEMBL6708854 0.88 KMT2A (0.42) STK33KMT2AMEN1ALDH1A1MAPT
SCHEMBL6711762 0.88 MAP3K5 (0.41) POLBTDP1KMT2AALDH1A1LMNA
SCHEMBL6713406 0.87 NPC1 (0.41) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6710055 0.87 IRAK4 (0.41) KMT2AMEN1ALDH1A1NPC1CYP1A2
SCHEMBL6711406 0.86 GRIK1 (0.38) TDP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL6707774 0.86 TDP1 (0.44) TDP1KMT2AMEN1KDM4EALDH1A1

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
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed