SCHEMBL5202077

SCHEMBL5202077

O=C(O)c1ccc(N2CCCNCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.49
▸ UBE2T Q9NPD8 1/20 0.49
▸ HPGDS O60760 1/20 0.47
▸ HDAC2 Q92769 5/20 0.46
▸ HDAC3 O15379 3/20 0.46
▸ SMO Q99835 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ CHRNB2 P17787 2/20 0.45
▸ CHRNA4 P43681 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ OGA O60502 1/20 0.45
▸ HDAC1 Q13547 4/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL1896186 0.94 KCNH2 (0.53) KCNH2UBE2THPGDSHDAC2HDAC3
SCHEMBL7550033 0.93 KCNH2 (0.52) KCNH2UBE2THPGDSHDAC2HDAC3
SCHEMBL7547417 0.93 KCNH2 (0.52) KCNH2UBE2THPGDSHDAC2HDAC3
Hydrochloric Acid SCHEMBL31552815 0.93 KCNH2 (0.52) KCNH2UBE2THPGDSHDAC2HDAC3
SCHEMBL5238314 0.87 UBE2T (0.48) KCNH2UBE2THPGDSHDAC2HDAC3
SCHEMBL1989630 0.86 UBE2T (0.63) UBE2THPGDSSMOALDH1A1KDM4E
SCHEMBL31352228 0.86 UBE2T (0.58) UBE2THPGDSSMOALDH1A1KDM4E
SCHEMBL19836997 0.86 UBE2T (0.58) UBE2THPGDSSMOALDH1A1KDM4E
SCHEMBL29784322 0.86 UBE2T (0.63) UBE2THPGDSSMOALDH1A1KDM4E
SCHEMBL4850532 0.85 UBE2T (0.61) UBE2THPGDSSMOALDH1A1KDM4E

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-1307444-B1 SUBSTITUTED HETEROCYCLIC AMIDES LILLY CO ELI (US) 2007-10-03 — — EP claimed
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