SCHEMBL28753664

SCHEMBL28753664

[CH2]/C=C(\F)c1csc(-c2ccccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ CYP19A1 P11511 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
▸ CCR5 P51681 1/20 0.36
▸ CCR8 P51685 1/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ DOHH Q9BU89 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HDAC3 O15379 1/20 0.35

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
SCHEMBL6852105 0.83 KDM4E (0.40) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6852101 0.83 KDM4E (0.40) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6852100 0.83 KDM4E (0.40) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL27605065 0.77 KDM4E (0.49) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6852476 0.75 KDM4E (0.58) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6852483 0.75 KDM4E (0.58) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6851817 0.74 KDM4E (0.42) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6851822 0.74 KDM4E (0.42) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6854390 0.74 KDM4E (0.37) KDM4ERAB9ANPC1MAPTGLA
SCHEMBL6847868 0.74 TRPV1 (0.45) KDM4ERAB9ANPC1CYP19A1LMNA

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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