SCHEMBL6946448

SCHEMBL6946448

CC(=O)C(=O)On1c(Cc2ccccc2)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL28132216 0.74 POLB (0.56) TSHRMAPK1LMNAHTTMEN1
SCHEMBL5579899 0.73 CYP1A2 (0.49) TSHRMAPK1LMNAHTTMEN1
SCHEMBL15643536 0.71 MAPT (0.65) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL15643258 0.71 APEX1 (0.71) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL2518498 0.70 LMNA (0.63) TSHRLMNAHTTMEN1KMT2A
SCHEMBL8022032 0.69 NPC1 (0.65) TSHRMAPK1LMNAHTTMEN1
SCHEMBL27894202 0.69 LMNA (0.64) TSHRMAPK1LMNAHTTMEN1
SCHEMBL6946445 0.69 TSHR (0.62) TSHRMAPK1LMNAHTTMEN1
SCHEMBL8420520 0.68 LMNA (0.73) MAPK1LMNAHTTMEN1KMT2A
SCHEMBL3495450 0.68 AGTR1 (0.58) SMN1; SMN2TP53MAPTKDM4EDRD2

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-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed