SCHEMBL6651785

SCHEMBL6651785

NC(=O)Oc1cc(CCl)on1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TMPRSS15 P98073 1/20 0.36
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
JAK2 O60674 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 2/20 0.30
SMPD1 P17405 1/20 0.30
CASP1 P29466 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL6652894 0.84 NOTUM (0.42) ALDH1A1MEN1KMT2ATMPRSS15
SCHEMBL6650653 0.84 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATMPRSS15HTT
SCHEMBL6650328 0.84 ALDH1A1 (0.58) ALDH1A1TMPRSS15HTTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL6653268 0.83 NOTUM (0.41) ALDH1A1MEN1KMT2ATMPRSS15
SCHEMBL6651488 0.78 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL5988237 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAKDM4ERAB9A
SCHEMBL6632393 0.73 TMPRSS15 (0.55) ALDH1A1TMPRSS15HTTSMN1; SMN2POLB
SCHEMBL3765497 0.72
SCHEMBL29438935 0.70 NOTUM (0.46) ALDH1A1TMPRSS15SMPD1
SCHEMBL8964871 0.69 EGFR (0.43) ALDH1A1MEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956294-B1 THROMBIN INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-06-09 EP disclosed
EP-1165601-A2 PRODRUGS OF THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
EP-1051431-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-11-15 EP disclosed
WO-2000061609-A2 PRODRUGS OF THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-10-19 WO disclosed
EP-0956294-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-11-17 EP disclosed
WO-1999037668-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed
WO-1998006741-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-02-19 WO disclosed