SCHEMBL19669738

SCHEMBL19669738

CC(C)(C)NC(=O)/C=C/CN1CCN(CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 3/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 3/20 0.33
EGFR P00533 1/20 0.33
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.32
HSD11B1 P28845 1/20 0.31
JAK2 O60674 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL19669740 0.88 LMNA (0.38) SMN1; SMN2KMT2AMEN1LMNAEGFR
SCHEMBL19912771 0.84 PKM (0.36) SMN1; SMN2LMNAEGFRALDH1A1KDM4E
SCHEMBL15601075 0.84 TP53 (0.38) TP53KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL19912779 0.84 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1LMNAEGFR
SCHEMBL24637162 0.83 EGFR (0.34) SMN1; SMN2LMNAEGFRALDH1A1JAK2
SCHEMBL19442308 0.83 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1LMNAEGFR
SCHEMBL15600836 0.81 SIGMAR1 (0.41) SMN1; SMN2KMT2AMEN1LMNAEGFR
SCHEMBL15600841 0.80 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMEN1EGFRALDH1A1
SCHEMBL19669739 0.79 ALDH1A1 (0.35) TP53LMNAEGFRALDH1A1POLB
SCHEMBL20235763 0.79 ACKR3 (0.35) SMN1; SMN2KMT2AMEN1LMNAEGFR

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
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed