SCHEMBL9985109

SCHEMBL9985109

Oc1ccc(Cl)c(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ WEE1 P30291 3/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ GUSB P08236 1/20 0.33
▸ PIM1 P11309 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL12071037 0.97 STAT3 (0.50) STAT3STAT1WEE1CHEK1GUSB
SCHEMBL9984075 0.85 STAT3 (0.48) STAT3STAT1
SCHEMBL9764318 0.84 STAT3 (0.58) STAT3STAT1GUSB
SCHEMBL4257881 0.82 STAT3 (0.50) STAT3STAT1WEE1CHEK1
SCHEMBL29403134 0.81 STAT3 (0.64) STAT3STAT1
SCHEMBL3352961 0.81 STAT3 (0.64) STAT3STAT1
SCHEMBL29402399 0.80 STAT3 (0.63) STAT3STAT1
SCHEMBL14973450 0.80 STAT3 (0.63) STAT3STAT1
SCHEMBL28459011 0.80 STAT3 (0.63) STAT3STAT1
SCHEMBL6744593 0.79 STAT3 (0.55) STAT3STAT1WEE1CHEK1

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-2011161065-A1 MACROCYCLIC TETRAPYRROLIC COMPOUND OF THE FAMILY OF PORPHYRINS, CHLORINS AND BACTERIOCHLORINS AS PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY FUNDAÇÃO PADRE ANTONIO VIEIRA (PT) 2011-12-29 — — WO disclosed
Send feedback