SCHEMBL793560

SCHEMBL793560

O=C1COCCN1c1cccc(N2CCOC2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CG P48736 2/20 0.47
PIK3CB P42338 1/20 0.47
F10 P00742 2/20 0.44
KMO O15229 1/20 0.42
MAP4K1 Q92918 5/20 0.41
PTGS2 P35354 6/20 0.40
USP30 Q70CQ3 1/20 0.40

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
Hydrochloric Acid SCHEMBL793754 0.99 PIK3CD (0.46) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL20124865 0.83 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL29740650 0.83 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL2940366 0.79 MAP4K1 (0.50) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL10272402 0.79 ALDH1A1 (0.52) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL20502398 0.79 ALDH1A1 (0.48) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL1438679 0.79 PIK3CD (0.46) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL13097259 0.79 F10 (0.49) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL198132 0.77 PTGS2 (0.57) F10PTGS2
SCHEMBL30706470 0.76 ADRA2C (0.53) PIK3CDPIK3CAPIK3CGKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616466-A2 PROCESS FOR DETERMINING THE SUITABILITY FOR DISTRIBUTION OF A BATCH OF A THIOPHENE-2-CARBOXAMIDE DERIVATIVE Medichem, S.A. (ES) 2013-07-24 EP claimed
WO-2012035057-A2 PROCESS FOR DETERMINING THE SUITABILITY FOR DISTRIBUTION OF A BATCH OF A THIOPHENE-2-CARBOXAMIDE DERIVATIVE MEDICHEM S.A. (ES) 2012-03-22 WO claimed
EP-2616466-A2 PROCESS FOR DETERMINING THE SUITABILITY FOR DISTRIBUTION OF A BATCH OF A THIOPHENE-2-CARBOXAMIDE DERIVATIVE Medichem, S.A. (ES) 2013-07-24 EP disclosed
WO-2012035057-A2 PROCESS FOR DETERMINING THE SUITABILITY FOR DISTRIBUTION OF A BATCH OF A THIOPHENE-2-CARBOXAMIDE DERIVATIVE MEDICHEM S.A. (ES) 2012-03-22 WO disclosed