SCHEMBL27613084

SCHEMBL27613084

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ GLA P06280 1/20 0.40
▸ RPS6KB2 Q9UBS0 2/20 0.36
▸ LMNA P02545 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ CCR8 P51685 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ DOHH Q9BU89 1/20 0.34
▸ P4HTM Q9NXG6 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL27612821 0.83 RPS6KB2 (0.33) RPS6KB2
SCHEMBL31716338 0.79 RPS6KB2 (0.57) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL27612819 0.78 KDM4E (0.42) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL27594239 0.76 KDM4E (0.51) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL27612961 0.76 KDM4E (0.36) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL27613083 0.76 CYP1A2 (0.42) KDM4ELMNACYP1A2POLBCCR1
SCHEMBL6854011 0.73 KDM4E (0.40) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6854007 0.73 KDM4E (0.40) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6854014 0.73 KDM4E (0.40) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL31716148 0.72 RPS6KB2 (0.46) KDM4ERAB9ANPC1MAPTGLA

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
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