SCHEMBL11847402

SCHEMBL11847402

COc1ccc2c(c1)C(=O)N1CCN=C1N2Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.59
▸ GAA P10253 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ PARK7 Q99497 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.48
▸ SOS1 Q07889 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ ALDH3A1 P30838 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ F10 P00742 1/20 0.44

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
SCHEMBL11845463 0.86 TSHR (0.57) TSHRGAAGFERSOS1KMT2A
Hydrochloric Acid SCHEMBL11851095 0.86 TSHR (0.73) TSHRGAAGFERKMT2AMEN1
SCHEMBL11850001 0.84 TSHR (0.74) TSHRGAAGFERSOS1KMT2A
SCHEMBL11847707 0.83 TSHR (0.63) TSHRGAAGFERSOS1KMT2A
SCHEMBL2493279 0.82 TSHR (0.83) TSHRGAAGFERSOS1KMT2A
SCHEMBL578232 0.76 PARK7 (0.76) PARK7TDP1ALDH1A1ALDH3A1CHRM5
SCHEMBL29406370 0.76 PARK7 (0.76) PARK7TDP1ALDH1A1ALDH3A1CHRM5
SCHEMBL11851828 0.76 TSHR (0.72) TSHRGAAGFERSOS1KMT2A
SCHEMBL11850946 0.75 TSHR (0.70) TSHRGAAGFERSOS1KMT2A
SCHEMBL11845293 0.75 TSHR (1.00) TSHRGAAGFERSOS1KMT2A

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-3969506-A BRONCHODILATOR SANDOZ, INC. (US) 1976-07-13 — — US disclosed
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