SCHEMBL6567161

SCHEMBL6567161

CCC(c1nc2ccc(Br)cc2c(=O)o1)c1nc2ccc(Br)cc2c(=O)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
MAPT P10636 2/20 0.48
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 5/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.47
CASP3 P42574 2/20 0.43
ELANE P08246 5/20 0.42
RXFP1 Q9HBX9 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
POLB P06746 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PTK2B Q14289 1/20 0.40
DHODH Q02127 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
SCHEMBL5791830 0.85 ALDH1A1 (0.50) TP53MAPTALDH1A1KDM4ECYP1A2
SCHEMBL6565611 0.84 ELANE (0.62) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6565217 0.82 MAPT (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6567397 0.82 ALDH1A1 (0.48) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6565648 0.82 ELANE (0.48) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6565334 0.82 KDM4E (0.47) ALDH1A1KDM4EHTTELANE
SCHEMBL6567413 0.80 KDM4E (0.54) TP53MAPTALDH1A1KDM4ECYP1A2
SCHEMBL6565065 0.80 KDM4E (0.45) TP53ALDH1A1KDM4EHTTELANE
SCHEMBL6567158 0.80 ELANE (0.49) TP53MAPTALDH1A1KDM4ECYP1A2
SCHEMBL6566018 0.79 SMN1; SMN2 (0.48) TP53MAPTALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993965-B1 Thermally sensitive recording medium JUJO PAPER CO LTD (JP) 2004-03-31 EP disclosed
US-6440897-B1 BIS-BENZOXAZINONE COMPOUND AS AN ULTRAVIOLET RAY ABSORBING AGENT NIPPON PAPER INDUSTRIES CO LTD (JP) 2002-08-27 US disclosed
EP-0993965-A2 Thermally sensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2000-04-19 EP disclosed