SCHEMBL11846111

SCHEMBL11846111

O=C1c2ccc(Cl)cc2N(Cc2ccc(F)cc2)C2=NCCN12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.68
▸ HTT P42858 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ SOS1 Q07889 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ CLPP Q16740 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ UBE2N P61088 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL11842852 0.85 TSHR (0.80) TSHRHTTKMT2ASOS1LMNA
Hydrochloric Acid SCHEMBL11845788 0.84 TSHR (0.78) TSHRHTTKMT2ASOS1LMNA
SCHEMBL11847604 0.82 TSHR (0.65) TSHRHTTKMT2ASOS1TP53
SCHEMBL11845293 0.81 TSHR (1.00) TSHRHTTKMT2ASOS1LMNA
SCHEMBL11850001 0.79 TSHR (0.74) TSHRHTTKMT2ASOS1LMNA
SCHEMBL11843146 0.78 SOS1 (0.74) TSHRHTTKMT2ASOS1LMNA
SCHEMBL11855278 0.77 TSHR (0.75) TSHRHTTKMT2ASOS1LMNA
SCHEMBL11810117 0.76 KMT2A (0.50) TSHRHTTKMT2ASOS1LMNA
SCHEMBL11804124 0.76 HTT (0.49) TSHRHTTKMT2ASOS1LMNA
SCHEMBL11850097 0.75 TSHR (0.52) TSHRLMNATP53GAA

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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