SCHEMBL27612839

SCHEMBL27612839

O/C=C\C(F)c1csc(-c2ccccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ GLA P06280 1/20 0.40
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ LMNA P02545 4/20 0.34
▸ CCR1 P32246 2/20 0.34
▸ CCR5 P51681 2/20 0.34
▸ CCR8 P51685 2/20 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
SCHEMBL27594327 0.76 KDM4E (0.51) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL28751291 0.76 RAB9A (0.36) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL27594463 0.76 OPRD1 (0.40) KDM4ERAB9ANPC1LMNACCR1
SCHEMBL27612819 0.69 KDM4E (0.42) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL27612864 0.69 KDM4E (0.40) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL4470259 0.68 KDM4E (0.55) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL27613084 0.68 KDM4E (0.40) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6851817 0.67 KDM4E (0.42) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6851822 0.67 KDM4E (0.42) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL28753664 0.67 KDM4E (0.42) 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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