SCHEMBL12433016

SCHEMBL12433016

C=C(O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
NPC1 O15118 2/20 0.45
HPGD P15428 2/20 0.45
AKR1C3 P42330 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
S1PR1 P21453 1/20 0.43
CYP2C9 P11712 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL580818 0.86 TTR (0.55) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL23648381 0.82 SMN1; SMN2 (0.54) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL250807 0.82 SMN1; SMN2 (0.59) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL2709426 0.82 SMN1; SMN2 (0.56) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL1962242 0.80 TP53 (0.49) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL20716309 0.80 NPC1 (0.52) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL1962239 0.80 NOTUM (0.50) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL1962241 0.80 NOTUM (0.50) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL20703196 0.79 NPC1 (0.55) NOTUMSMN1; SMN2TP53MAPTTHRB
SCHEMBL249879 0.79 NOTUM (0.58) NOTUMSMN1; SMN2TP53MAPTTHRB

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-2011093684-A2 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES HANMI HOLDINGS CO., LTD. (KR) 2011-08-04 WO disclosed