SCHEMBL7038561

SCHEMBL7038561

O=CC=Cc1cnc(-c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HDAC1 Q13547 7/20 0.42
HDAC6 Q9UBN7 7/20 0.42
LMNA P02545 3/20 0.41
TRPA1 O75762 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC3 O15379 6/20 0.41
HDAC4 P56524 6/20 0.41
HDAC7 Q8WUI4 6/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC10 Q969S8 6/20 0.41
HDAC11 Q96DB2 6/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC9 Q9UKV0 6/20 0.41
HDAC5 Q9UQL6 6/20 0.41

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
SCHEMBL8564072 1.00 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9394 0.82 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4340399 0.79 HDAC1 (0.51) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL27723954 0.79 NPC1 (0.43) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4340391 0.79 HDAC1 (0.51) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL24702521 0.77 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13606498 0.71 HDAC1 (0.45) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14468579 0.71 HDAC1 (0.45) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL24702461 0.68 HDAC3 (0.45) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL850829 0.68 CYP11B1 (0.49) ALDH1A1NPC1RAB9AMAPTSMN1; 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-0676409-B1 Erythromycin derivatives, their process for preparation and their application as medicaments AVENTIS PHARMA SA (FR) 2003-03-19 EP disclosed
CN-1059445-C Novel derivatives of erythromycin, their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-12-13 CN disclosed
US-5760233-A CHEMICAL INTERMEDIATES FOR MAKING ERYTHROMYCINS ANTIBIOTICS ROUSSEL UCLAF (FR) 1998-06-02 US disclosed
US-5656607-A Erythromycin derivatives ROUSSEL UCLAF (FR) 1997-08-12 US disclosed
CN-1126997-A Novel erythromycin derivatives, method for preparing same and use thereof as drugs ROUSSEL UCLAF (FR) 1996-07-17 CN disclosed
WO-1995027720-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS DRUGS ROUSSEL UCLAF (FR) 1995-10-19 WO disclosed
EP-0676409-A1 Erythromycin derivatives, their process for preparation and their application as medicaments ROUSSEL UCLAF (FR) 1995-10-11 EP disclosed