SCHEMBL2368174

SCHEMBL2368174

CCCCCCCCCCCCOc1cc2nc3ccc(C(=O)N(CC)N(C)C)cc3nc2cc1OCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 1/20 0.47
THRA P10827 8/20 0.42
THRB P10828 8/20 0.42
SMPD1 P17405 4/20 0.42

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
SCHEMBL2368024 0.83 ALDH1A1 (0.56) ALDH1A1HPGD
SCHEMBL2368175 0.77 SMPD1 (0.54) ALDH1A1HPGDTHRATHRBSMPD1
SCHEMBL2368074 0.73 TLR8 (0.61) ALDH1A1HPGDLMNA
SCHEMBL12510798 0.73 TLR8 (0.61) ALDH1A1HPGDLMNA
SCHEMBL6111802 0.73 SMPD1 (0.41) ALDH1A1HPGDLMNATHRATHRB
SCHEMBL2247380 0.71 SMPD1 (0.44) ALDH1A1HPGDLMNATHRATHRB
SCHEMBL2246934 0.68 TLR8 (0.50) LMNASMPD1
SCHEMBL6933511 0.68 TLR8 (0.50) LMNASMPD1
SCHEMBL2244311 0.68 ALDH1A1 (0.57) ALDH1A1LMNA
SCHEMBL10498409 0.68 SMPD1 (0.62) ALDH1A1HPGDTHRATHRBSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011117830-A1 DERIVATIVES OF PHENAZINE USEFUL TO TREAT CANCER Université de la Méditerranée AIX-Marseille II (FR) 2011-09-29 WO claimed
EP-2368885-A1 Derivatives of phenazine useful to treat cancer Université de la Méditerranée (Aix-Marseille II) (FR) 2011-09-28 EP claimed
WO-2011117830-A1 DERIVATIVES OF PHENAZINE USEFUL TO TREAT CANCER Université de la Méditerranée AIX-Marseille II (FR) 2011-09-29 WO disclosed
EP-2368885-A1 Derivatives of phenazine useful to treat cancer Université de la Méditerranée (Aix-Marseille II) (FR) 2011-09-28 EP disclosed