SCHEMBL2368024

SCHEMBL2368024

CCCCCCCCCCCCOc1cc2nc3ccc(C(=O)O)cc3nc2cc1OCCCCCCCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
PTPN11 Q06124 1/20 0.55
PLA2G4B P0C869 3/20 0.55
TDP1 Q9NUW8 1/20 0.53
PLA2G2A P14555 1/20 0.52
RARB P10826 3/20 0.52
PLA2G2D Q9UNK4 1/20 0.52
PLA2G4A P47712 1/20 0.50

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
SCHEMBL2368174 0.83 ALDH1A1 (0.47) ALDH1A1HPGD
SCHEMBL1199847 0.82 ALDH1A1 (0.69) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL1201534 0.82 ALDH1A1 (0.69) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL1199875 0.82 ALDH1A1 (0.69) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL1200986 0.82 ALDH1A1 (0.69) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL1201602 0.82 ALDH1A1 (0.69) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL1199892 0.82 ALDH1A1 (0.69) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL1231278 0.82 ALDH1A1 (0.69) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL1199953 0.82 ALDH1A1 (0.69) ALDH1A1HPGDTP53TSHRPTPN11
SCHEMBL8085074 0.82 ALDH1A1 (0.69) ALDH1A1HPGDTP53TSHRPTPN11

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