SCHEMBL14018491

SCHEMBL14018491

Nc1cnc(-c2cc(F)cc(F)c2)s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DCK P27707 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAP4K4 O95819 3/20 0.34
▸ LDHA P00338 1/20 0.34
▸ HSD17B13 Q7Z5P4 1/20 0.33
▸ MET P08581 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ APP P05067 2/20 0.30

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
SCHEMBL23367954 0.80 APP (0.44) DCKKDM4EADORA1APP
SCHEMBL8331917 0.72 ALDH1A1 (0.38) KDM4EHSD17B13METTDP1HRH3
SCHEMBL28414585 0.71 MAPT (0.43) KDM4ETDP1APP
SCHEMBL5154428 0.71 ALDH1A1 (0.49) KDM4EADORA2AADORA1
SCHEMBL12789113 0.71 HDAC1 (0.46) LDHA
SCHEMBL2684464 0.69 KDM4E (0.52) KDM4E
SCHEMBL14332762 0.69 ALDH1A1 (0.47) —
SCHEMBL14240524 0.68 ALDH1A1 (0.46) DCKKDM4EMAP4K4
SCHEMBL3703503 0.66 — —
SCHEMBL380344 0.66 MAP4K4 (0.47) KDM4EMAP4K4ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343503-B1 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2008-11-12 — — EP disclosed
US-7309704-B2 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-18 — — US disclosed
US-7309704-B2 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-18 — — US disclosed
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