SCHEMBL6533968

SCHEMBL6533968

CCOC(=O)c1cc2cc([AsH2])ccc2n1Cc1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 1/20 0.52
▸ NOD1 Q9Y239 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ F10 P00742 2/20 0.47
▸ ECE1 P42892 7/20 0.46
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL6019265 0.87 NOD2 (0.52) NOD2NOD1KDM4EMAPTTDP1
SCHEMBL6019085 0.83 NOD2 (0.50) NOD2NOD1KDM4EMAPTTDP1
SCHEMBL6019060 0.80 ECE1 (0.74) ECE1
SCHEMBL3276789 0.77 NOD2 (0.54) NOD2NOD1KDM4EMAPTTDP1
SCHEMBL6019379 0.76 ECE1 (0.58) ECE1
SCHEMBL3622091 0.74 NOD2 (0.47) NOD2NOD1KDM4EMAPTTDP1
SCHEMBL3276552 0.73 NOD2 (0.59) NOD2NOD1KDM4EMAPTTDP1
SCHEMBL925922 0.73 NOD2 (0.48) NOD2NOD1KDM4EMAPTTDP1
SCHEMBL3283484 0.73 NOD2 (0.53) NOD2NOD1KDM4EMAPTTDP1
SCHEMBL6018633 0.72 NOD2 (0.45) NOD2NOD1MAPTTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578418-A2 USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES Bayer HealthCare AG (DE) 2005-09-28 — — EP disclosed
WO-2004056768-A2 USE OF SUBSTITUTED 2,5-DIAMIDOINDOLES FOR THE TREATMENT OF UROLOGICAL DISEASES BAYER HEALTHCARE AG (DE) 2004-07-08 — — WO disclosed
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