SCHEMBL9095058

SCHEMBL9095058

CC(=O)c1c2nc(cc3[nH]c(cc4nc(cc5ccc1[nH]5)C=C4)c1ccccc31)C=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.45
▸ STAT1 P42224 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ MAPT P10636 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KIF11 P52732 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PDE5A O76074 1/20 0.32

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
SCHEMBL351897 0.90 STAT3 (0.45) STAT3STAT1MAPTBRD4HSD17B10
SCHEMBL1596068 0.90 STAT3 (0.47) STAT3STAT1KDM4EMAPTBRD4
SCHEMBL351526 0.88 STAT3 (0.43) STAT3STAT1MAPTBRD4HSD17B10
SCHEMBL1597373 0.88 STAT3 (0.43) STAT3STAT1MAPTKIF11BRD4
SCHEMBL6417535 0.87 STAT3 (0.39) STAT3STAT1KDM4EMAPTALDH1A1
SCHEMBL9234160 0.81 STAT3 (0.36) STAT3STAT1
SCHEMBL9094548 0.79 STAT3 (0.46) STAT3STAT1KMT2AMEN1KIF11
SCHEMBL5445020 0.79 STAT3 (0.36) STAT3STAT1
SCHEMBL13504831 0.78 STAT3 (0.42) STAT3STAT1KDM4EKMT2AMAPT
SCHEMBL3125425 0.78 STAT3 (0.49) STAT3STAT1

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
US-5498710-A PHOTOSENSITIZERS HEALTH RESEARCH, INC. (US) 1996-03-12 — — US disclosed
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