SCHEMBL11845463

SCHEMBL11845463

COc1cc2c(cc1OC)N(Cc1ccccc1)C1=NCCN1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.57
▸ GAA P10253 1/20 0.55
▸ GFER P55789 1/20 0.55
▸ SOS1 Q07889 1/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.44
▸ UTS2R Q9UKP6 1/20 0.43
▸ EP300 Q09472 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ CACNA1F O60840 1/20 0.41
▸ PDE5A O76074 1/20 0.41

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
SCHEMBL11847402 0.86 TSHR (0.59) TSHRGAAGFERSOS1KMT2A
SCHEMBL2493279 0.81 TSHR (0.83) TSHRGAAGFERSOS1KMT2A
SCHEMBL11850001 0.81 TSHR (0.74) TSHRGAAGFERSOS1KMT2A
SCHEMBL11847707 0.80 TSHR (0.63) TSHRGAAGFERSOS1KMT2A
SCHEMBL11847929 0.78 TSHR (0.60) TSHRGAAGFERTP53KDM4E
Hydrochloric Acid SCHEMBL11851095 0.78 TSHR (0.73) TSHRGAAGFERKMT2AMEN1
SCHEMBL11846615 0.77 MEN1 (0.44) TSHRGAAKMT2AMEN1CYP3A4
SCHEMBL11850698 0.77 TSHR (0.59) TSHRSOS1KMT2AMEN1TP53
SCHEMBL11847604 0.77 TSHR (0.65) TSHRGAAGFERSOS1KMT2A
SCHEMBL11851828 0.74 TSHR (0.72) 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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