SCHEMBL4554597

SCHEMBL4554597

O=C(OCc1ccccc1)C1NCCc2cc(B(O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADRB2 P07550 1/20 0.39
STS P08842 1/20 0.39
KDM1A O60341 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
GLA P06280 1/20 0.37
SLC18A2 Q05940 1/20 0.36

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
SCHEMBL19398221 0.84 TSHR (0.44) TSHRNPSR1ADRB2KDM1AMAPKAPK2
SCHEMBL11028997 0.78 TSHR (0.45) TSHRNPSR1ADRB2KDM1AMAPKAPK2
SCHEMBL7121558 0.73 MAPKAPK2 (0.51) MAPKAPK2
SCHEMBL19607654 0.73 TSHR (0.44) TSHRNPSR1GLASLC18A2
SCHEMBL19607652 0.73 TSHR (0.44) TSHRNPSR1GLASLC18A2
SCHEMBL7436594 0.73 GLA (0.44) TSHRMAPKAPK2GLA
SCHEMBL19225930 0.73 TSHR (0.44) TSHRNPSR1MAPKAPK2GLA
SCHEMBL15654433 0.72 ALDH1A1 (0.47) TSHRNPSR1SLC18A2
SCHEMBL6967406 0.71 TSHR (0.42) TSHRNPSR1ADRB2KDM1AMAPKAPK2
SCHEMBL7221778 0.71 FABP7 (0.45) TSHRMAPKAPK2GLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2073811-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-07-01 EP disclosed
WO-2008046003-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-04-17 WO disclosed