SCHEMBL3725686

SCHEMBL3725686

O=C(O)N1CC(C(=O)N2CCCC2)C1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.64
ALDH1A1 P00352 4/20 0.52
TSHR P16473 2/20 0.52
HSD11B1 P28845 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3716685 0.95 HPGD (0.58) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL15322429 0.85 HPGD (0.63) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL28735731 0.85 HPGD (0.63) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL20521101 0.85 HPGD (0.63) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL27752273 0.83 HPGD (0.72) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL17255293 0.81 TSHR (0.49) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL19971619 0.78 HSD11B1 (0.46) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL19971621 0.78 HSD11B1 (0.46) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL19971620 0.78 HSD11B1 (0.46) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2
SCHEMBL18228450 0.78 HPGD (1.00) HPGDALDH1A1TSHRHSD11B1SMN1; SMN2

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
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed