SCHEMBL27612819

SCHEMBL27612819

O/C=C/Cc1csc(-c2ccccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.42
▸ MAPT P10636 5/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ GLA P06280 1/20 0.42
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CCR1 P32246 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
SCHEMBL27612756 0.82 HDAC1 (0.31) HDAC1
SCHEMBL27613084 0.78 KDM4E (0.40) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL31716338 0.75 RPS6KB2 (0.57) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL27594204 0.75 KDM4E (0.55) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL27612912 0.74 KDM4E (0.36) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL27613086 0.74 CYP1A2 (0.44) KDM4ENPC1RAB9ALMNACYP1A2
SCHEMBL6853984 0.72 KDM4E (0.43) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6853980 0.72 KDM4E (0.43) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL4470259 0.70 KDM4E (0.55) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL27612839 0.69 KDM4E (0.40) KDM4EMAPTNPC1RAB9AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 — — CN disclosed
Send feedback