SCHEMBL11850946

SCHEMBL11850946

O=C1c2ccccc2N(Cc2ccccc2)C2=NCCCCN12

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.70
▸ KMT2A Q03164 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ GAA P10253 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ SOS1 Q07889 2/20 0.56
▸ PRKAG1 P54619 2/20 0.54
▸ PRKAA1 Q13131 2/20 0.54
▸ PRKAB1 Q9Y478 2/20 0.54
▸ HTT P42858 4/20 0.54
▸ LMNA P02545 3/20 0.53
▸ TP53 P04637 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ ALDH3A1 P30838 2/20 0.49
▸ ALDH2 P05091 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ CES1 P23141 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11851828 0.96 TSHR (0.72) TSHRKMT2AMEN1GAAGFER
SCHEMBL2493279 0.91 TSHR (0.83) TSHRKMT2AMEN1GAAGFER
SCHEMBL11850062 0.88 TSHR (0.86) TSHRKMT2AMEN1GAAGFER
SCHEMBL11843146 0.87 SOS1 (0.74) TSHRKMT2AMEN1GAAGFER
SCHEMBL11845293 0.82 TSHR (1.00) TSHRKMT2AMEN1GAAGFER
SCHEMBL11877505 0.82 TSHR (0.55) TSHRKMT2AMEN1SOS1PRKAG1
SCHEMBL11847278 0.81 TSHR (0.80) TSHRKMT2AMEN1GAAGFER
SCHEMBL11842852 0.81 TSHR (0.80) TSHRKMT2AMEN1GAAGFER
Hydrochloric Acid SCHEMBL11845788 0.81 TSHR (0.78) TSHRKMT2AMEN1GAAGFER
SCHEMBL11850698 0.79 TSHR (0.59) TSHRKMT2AMEN1SOS1PRKAG1

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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