SCHEMBL19386233

SCHEMBL19386233

COC(=O)c1cc(N2CCN(C(=O)O)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
PHGDH O43175 1/20 0.48
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
CNR1 P21554 1/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 6/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
HTT P42858 3/20 0.44
TSHR P16473 6/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 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
SCHEMBL23456293 0.85 STS (0.49) NOTUMPHGDHCNR1POLBLMNA
SCHEMBL23217170 0.83 IDO1 (0.57) PHGDHIDO1TDO2POLBLMNA
SCHEMBL6507125 0.83 NOTUM (0.52) NOTUMPHGDHCNR1POLBLMNA
SCHEMBL19386229 0.83 MAPT (0.46) LMNASMN1; SMN2HTTTSHRMAPT
SCHEMBL6501166 0.82 NOTUM (0.51) NOTUMPHGDHCNR1MAPTMEN1
SCHEMBL19386238 0.81 LMNA (0.47) PHGDHLMNASMN1; SMN2MAPTMEN1
SCHEMBL19386235 0.81 SMN1; SMN2 (0.48) LMNASMN1; SMN2GAAHTTTSHR
SCHEMBL6497273 0.81 NOTUM (0.50) NOTUMPHGDHCNR1POLBGAA
SCHEMBL19386236 0.80 NOTUM (0.44) NOTUMLMNASMN1; SMN2GAAHTT
SCHEMBL23217289 0.80 FFAR4 (0.55) PHGDHIDO1TDO2POLBLMNA

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-2017165839-A1 METHODS AND COMPOSITION OF 4-SUBSTITUTED BENZOYLPIPERAZINE-1-SUBSTITUTED CARBONYLS AS BETA-CATENIN/B-CELL LYMPHOMA 9 INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-09-28 WO disclosed