SCHEMBL6578142

SCHEMBL6578142

O=C(Cc1cccc(-c2ccccn2)c1)NC1CCN(C(=O)Cc2cccc(-c3ccccn3)c2)CC1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.48
KDM6B O15054 3/20 0.41
KDM5C P41229 3/20 0.41
KDM4C Q9H3R0 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
KDM3A Q9Y4C1 3/20 0.41
POLB P06746 2/20 0.39
TACR3 P29371 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MCHR1 Q99705 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NPY5R Q15761 1/20 0.39
KDM4A O75164 1/20 0.38
BRD4 O60885 1/20 0.38
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
FFAR1 O14842 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
WNT3A P56704 1/20 0.37

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
SCHEMBL7428878 0.84 CTSK (0.53) CTSKKDM6BKDM5CKDM4CKDM2A
SCHEMBL4691184 0.84 CTSK (0.53) CTSKKDM6BKDM5CKDM4CKDM2A
SCHEMBL6578194 0.83 CTSK (0.56) CTSKKDM6BKDM5CKDM4CKDM2A
SCHEMBL5105817 0.82 CTSK (0.49) CTSKKDM6BKDM5CKDM4CKDM2A
SCHEMBL5098711 0.81 CTSK (0.64) CTSKKDM6BKDM5CKDM4CKDM2A
SCHEMBL7429714 0.81 CTSK (0.64) CTSKKDM6BKDM5CKDM4CKDM2A
SCHEMBL6404534 0.81 CTSK (0.64) CTSKKDM6BKDM5CKDM4CKDM2A
SCHEMBL6578193 0.81 CTSK (0.48) CTSKKDM6BKDM5CKDM4CKDM2A
SCHEMBL5098703 0.79 CTSK (0.52) CTSKKDM6BKDM5CKDM4CKDM2A
SCHEMBL6584080 0.79 CTSK (0.52) CTSKPOLBALDH1A1CTSLCTSB

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
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP claimed