SCHEMBL28209807

SCHEMBL28209807

O=Nc1ccc(Br)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ TSHR P16473 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GMNN O75496 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ MTOR P42345 1/20 0.36

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
SCHEMBL12458453 0.78 MEN1 (0.40) ALDH1A1HSD17B10TSHRMAPTKMT2A
SCHEMBL19381131 0.78 IDO1 (0.45) —
SCHEMBL14075868 0.78 ALDH1A1 (0.33) ALDH1A1HSD17B10TSHRMAPTKMT2A
SCHEMBL18403872 0.78 ALOX15 (0.50) ALDH1A1HSD17B10KMT2AMEN1LMNA
SCHEMBL25453075 0.78 KDM1A (0.37) ALDH1A1HSD17B10TSHRMAPTKMT2A
SCHEMBL13752275 0.75 ERN1 (0.39) ALDH1A1HSD17B10TSHRMAPTKMT2A
SCHEMBL12459048 0.73 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AMAPK1HPGD
SCHEMBL12145185 0.73 MAOB (0.34) ALDH1A1HSD17B10TSHRMAPTKMT2A
SCHEMBL11517806 0.73 MAPK1 (0.52) TSHRMAPK1CYP3A4TDP1CYP1A2
SCHEMBL25759566 0.72 TSHR (0.33) ALDH1A1HSD17B10TSHRMAPTKMT2A

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
CN-105669590-B The technique of catalyst-free synthesis phenothiazines intermediate 四川墨凯科技有限公司 2018-04-06 — — CN disclosed
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