SCHEMBL7196015

SCHEMBL7196015

CCOc1ccc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)OC(=O)c4cc(C#N)ccc4NC(=O)c4cc5cccc([AsH]C(=O)C6(C)CC6)c5[nH]4)[nH]c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
RXFP1 Q9HBX9 1/20 0.36
NLRP3 Q96P20 1/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ROCK2 O75116 1/20 0.34
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC1 Q13547 1/20 0.31
CSF1R P07333 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
SCHEMBL7196017 0.94 SMN1; SMN2 (0.39) POLBRXFP1NLRP3KMT2AMAPT
SCHEMBL6833113 0.83 SMN1; SMN2 (0.46) POLBRXFP1NLRP3KMT2AMAPT
SCHEMBL6834350 0.76 ALDH1A1 (0.50) POLBNLRP3KMT2AMAPTMEN1
SCHEMBL6713494 0.74 POLB (0.39) POLBRXFP1NLRP3KMT2AMAPT
SCHEMBL6834072 0.74 ALDH1A1 (0.41) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL6834504 0.73 LMNA (0.47) RXFP1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6707690 0.73 POLB (0.38) POLBRXFP1NLRP3KMT2AMAPT
SCHEMBL6830705 0.73 ALB (0.42) POLBRXFP1KMT2A
SCHEMBL6833683 0.73 NR1H4 (0.48) NLRP3CACNA1H
SCHEMBL6835671 0.72 LMNA (0.39) POLBRXFP1MAPTLMNATP53

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed