SCHEMBL13759251

SCHEMBL13759251

CCCN(CCC)c1nc(NC(=O)Nc2ccccc2OC)cc(OCCN2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.51
▸ MAPK13 O15264 1/20 0.51
▸ MAPK12 P53778 1/20 0.51
▸ MAPK11 Q15759 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TNF P01375 1/20 0.41
▸ CRHR1 P34998 1/20 0.41
▸ CHEK1 O14757 1/20 0.41

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
SCHEMBL13759252 0.87 POLB (0.51) POLBTSHR
SCHEMBL426831 0.84 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL13759253 0.84 KDR (0.46) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL13759248 0.84 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11TSHR
SCHEMBL13759001 0.83 KDR (0.49) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL14530477 0.82 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL13759249 0.74 HRH3 (0.56) —
SCHEMBL3114122 0.72 KCNA5 (0.46) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL3107346 0.72 POLB (0.47) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL425124 0.70 POLB (0.55) POLBALDH1A1

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
WO-2009100406-A2 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORP. (US) 2009-08-13 — — WO disclosed
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