SCHEMBL6693528

SCHEMBL6693528

O=S(=O)(NCc1ncccn1)c1[c]cccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
PRMT1 Q99873 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.38
KEAP1 Q14145 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL6749654 0.80 SMN1; SMN2 (0.60) L3MBTL1LMNASMN1; SMN2ALDH1A1KEAP1
SCHEMBL6690757 0.79 AURKA (0.47) L3MBTL1LMNAALDH1A1MEN1KMT2A
SCHEMBL6689327 0.77 CCR2 (0.33) LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL4061705 0.76 ALDH1A1 (0.42) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL483343 0.75 ALDH1A1 (0.43) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5051601 0.72 CA12 (0.46) L3MBTL1LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL5697206 0.71 TSHR (0.38) L3MBTL1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL8558659 0.71 ALDH1A1 (0.45) ALDH1A1KMT2AATMGAATSHR
SCHEMBL6693457 0.71 LMNA (0.45) L3MBTL1PRMT1LMNASMN1; SMN2ALDH1A1
SCHEMBL10332311 0.71 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1MEN1KMT2A

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-1140871-A4 THROMBIN OR FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-06 EP disclosed
EP-1140871-A1 THROMBIN OR FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000039108-A1 THROMBIN OR FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed