SCHEMBL9572748

SCHEMBL9572748

[CH2]C(CCC)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.46
▸ AOC3 Q16853 1/20 0.42
▸ TSHR P16473 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HIF1A Q16665 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ GAA P10253 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CASP1 P29466 1/20 0.35

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
SCHEMBL8744961 0.83 TDP1 (0.50) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL14541275 0.78 TDP1 (0.50) TDP1AOC3TSHRALDH1A1CYP3A4
SCHEMBL19265914 0.77 TDP1 (0.54) TDP1AOC3TSHRALDH1A1CYP3A4
SCHEMBL1454381 0.77 TDP1 (0.54) TDP1AOC3TSHRALDH1A1CYP3A4
SCHEMBL1804931 0.75 TDP1 (0.46) TDP1AOC3TSHRALDH1A1CYP3A4
SCHEMBL4167974 0.75 TDP1 (0.46) TDP1AOC3TSHRALDH1A1CYP3A4
SCHEMBL4164946 0.75 TDP1 (0.46) TDP1AOC3TSHRALDH1A1CYP3A4
SCHEMBL4165020 0.75 TDP1 (0.46) TDP1AOC3TSHRALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL17710423 0.75 TDP1 (0.52) TDP1AOC3TSHRALDH1A1CYP3A4
SCHEMBL10889654 0.75 TDP1 (0.46) TDP1AOC3TSHRALDH1A1CYP3A4

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
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 — — EP disclosed
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