SCHEMBL11850698

SCHEMBL11850698

COc1ccc(CN2C3=NCCCN3C(=O)c3ccccc32)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.59
▸ UTS2R Q9UKP6 3/20 0.49
▸ HTT P42858 3/20 0.48
▸ SOS1 Q07889 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ APP P05067 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SNCA P37840 2/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46
▸ NR1H3 Q13133 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
SCHEMBL11847929 0.88 TSHR (0.60) TSHRUTS2RLMNATP53APP
SCHEMBL11851828 0.82 TSHR (0.72) TSHRHTTSOS1KMT2AMEN1
SCHEMBL11850062 0.82 TSHR (0.86) TSHRHTTSOS1KMT2AMEN1
SCHEMBL11843146 0.81 SOS1 (0.74) TSHRHTTSOS1KMT2AMEN1
SCHEMBL11876237 0.80 MAPT (0.45) TSHRUTS2RKMT2ALMNATP53
SCHEMBL11850946 0.79 TSHR (0.70) TSHRHTTSOS1KMT2AMEN1
Hydrochloric Acid SCHEMBL11851095 0.79 TSHR (0.73) TSHRHTTKMT2AMEN1TP53
SCHEMBL11800639 0.79 RXFP1 (0.48) TSHRUTS2RKMT2AMEN1TP53
SCHEMBL11845463 0.77 TSHR (0.57) TSHRUTS2RHTTSOS1KMT2A
SCHEMBL11855278 0.75 TSHR (0.75) TSHRHTTSOS1KMT2AMEN1

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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