SCHEMBL13758989

SCHEMBL13758989

CCCN(CCC)c1nc(OCCN2CCOCC2)cc(C(=O)Nc2ccc3c(c2)CCC3)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MAPK1 P28482 1/20 0.46
▸ GRM4 Q14833 3/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ GAA P10253 1/20 0.42
▸ TP53 P04637 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTR2A P28223 2/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ S1PR1 P21453 1/20 0.39

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
SCHEMBL428873 0.83 HTT (0.56) HTTALOX15HPGDMAPK1GRM4
SCHEMBL14530221 0.76 KMT2A (0.44) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL11926403 0.76 GRM4 (0.44) HTTALOX15HPGDMAPK1GRM4
SCHEMBL13759248 0.76 MAPK14 (0.49) SMN1; SMN2HTR2AHTR2CKDR
SCHEMBL14530047 0.75 FLT3 (0.41) KDR
SCHEMBL11926400 0.75 GRM4 (0.44) HTTALOX15HPGDMAPK1GRM4
SCHEMBL13758992 0.75 FLT3 (0.41) RAB9ALMNAHTR2AKDR
SCHEMBL13759001 0.74 KDR (0.49) ALDH1A1HTR2AHTR2CKDR
SCHEMBL3111551 0.73 GRM4 (0.45) HTTALOX15HPGDGRM4LMNA
SCHEMBL11926381 0.73 GRM4 (0.43) HTTALOX15HPGDMAPK1GRM4

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
WO-2009100406-A2 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORP. (US) 2009-08-13 — — WO disclosed
WO-2007050980-A2 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-03 — — WO disclosed
Send feedback