SCHEMBL7424591

SCHEMBL7424591

Cc1cc(O)cc(OCCc2ccc(C(N)=NO)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CACNA1B Q00975 2/20 0.39
▸ F2 P00734 5/20 0.39
▸ PARP10 Q53GL7 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ F10 P00742 2/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36

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
SCHEMBL5866235 0.84 CACNA1B (0.53) CACNA1BF2F10
Hydrochloric Acid SCHEMBL5866267 0.83 CACNA1B (0.52) CACNA1BF2F10
SCHEMBL5866152 0.82 F2 (0.38) MAPTL3MBTL1CACNA1BF2PARP10
SCHEMBL5866133 0.77 PPARD (0.48) RAB9AMAPTF2PPARDPPARA
SCHEMBL5866233 0.77 F2 (0.41) RAB9ANPC1KMT2AF2PPARD
SCHEMBL5866239 0.77 F2 (0.41) RAB9ANPC1KMT2AF2PPARD
Hydrochloric Acid SCHEMBL5866265 0.76 F2 (0.40) RAB9ANPC1KMT2AF2GRIN2B
SCHEMBL23902346 0.72 PARP10 (0.64) GAARAB9ALMNAMAPTNPC1
Hydrochloric Acid SCHEMBL28039324 0.69 KCNH2 (0.49) RAB9ANPC1TP53ALOX15KMT2A
SCHEMBL9969768 0.68 RAB9A (0.43) GAARAB9ALMNAMAPTNPC1

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-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 — — EP disclosed
EP-0917528-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-05-26 — — EP disclosed
WO-1998001422-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-01-15 — — WO disclosed
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