SCHEMBL6935619

SCHEMBL6935619

Cc1nn(C)c(NCCCc2ncc[nH]2)c1N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.40
PTH1R Q03431 1/20 0.36
TBXAS1 P24557 2/20 0.35
NAMPT P43490 7/20 0.34
ITGB3 P05106 2/20 0.33
ITGAV P06756 2/20 0.33
TAAR1 Q96RJ0 3/20 0.31
ALOX15 P16050 1/20 0.31
HRH4 Q9H3N8 1/20 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
SCHEMBL6934565 0.74 KDM4E (0.35)
SCHEMBL7595744 0.71 TERT (0.38) TERTPTH1RTBXAS1NAMPTITGB3
SCHEMBL6935616 0.69 NMT1 (0.47) ALOX15
SCHEMBL6572107 0.69 TERT (0.47) TERTPTH1RTBXAS1NAMPTTAAR1
SCHEMBL1801275 0.69 KDM4E (0.35) HRH4
SCHEMBL5163649 0.68 TERT (0.41) TERTPTH1RTBXAS1NAMPTTAAR1
SCHEMBL1488117 0.68 TERT (0.53) TERTTBXAS1NAMPTTAAR1ALOX15
SCHEMBL6934711 0.68 SMN1; SMN2 (0.37)
SCHEMBL6937423 0.68 NPC1 (0.44) TAAR1
SCHEMBL27220846 0.68 TERT (0.56) TERTTBXAS1NAMPTTAAR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304995-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-02 EP disclosed
WO-2002009662-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO disclosed