SCHEMBL7993336

SCHEMBL7993336

COC(=O)c1ccccc1C1=C2C=CC(=N2)C=C2C=CC(=N2)C(c2ccc(OC)cc2)=C2C=CC(=N2)C=C2C=CC1=N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA3 P34903 2/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ DDX3X O00571 1/20 0.37
▸ HSP90AA1 P07900 6/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL4266561 0.83 ME2 (0.34) KDM4EMEN1KMT2ANPC1TP53
SCHEMBL7258049 0.80 MAPT (0.40) HSP90AA1MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL7257337 0.78 TDP1 (0.40) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL28890813 0.76 BACE1 (0.38) KDM4EGABRG2GABRB3GABRA3GABRA1
SCHEMBL7261873 0.75 MAPT (0.38) KDM4ECYP1A2MEN1ALDH1A1KMT2A
SCHEMBL7261530 0.73 ALDH1A1 (0.35) KDM4ECYP1A2CYP2D6CYP2C19HSP90AA1
SCHEMBL585529 0.72 CLK4 (0.39) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6804334 0.71 CYP1A1 (0.33) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28353822 0.71 TSHR (0.31) SLC6A3KMT2AMAPTSMN1; SMN2
SCHEMBL29163406 0.71 NPC1 (0.38) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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-2001074818-A1 CHLORINS WITH FUSED RINGS FOR USE IN PHOTODYNAMIC THERAPY MIRAVANT PHARMACEUTICALS, INC. (US) 2001-10-11 — — WO disclosed
Send feedback