SCHEMBL2146785

SCHEMBL2146785

OC1CNCC1OC[C@H]1CCCO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
ALOX12 P18054 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
GBA1 P04062 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL2146788 1.00 LMNA (0.41) LMNAPOLBALDH1A1SMN1; SMN2USP2
SCHEMBL2146779 1.00 LMNA (0.41) LMNAPOLBALDH1A1SMN1; SMN2USP2
SCHEMBL2146793 1.00 LMNA (0.41) LMNAPOLBALDH1A1SMN1; SMN2USP2
SCHEMBL2008316 0.78 LMNA (0.42) LMNAPOLBALDH1A1SMN1; SMN2USP2
SCHEMBL2008314 0.78 LMNA (0.42) LMNAPOLBALDH1A1SMN1; SMN2USP2
Hydrochloric Acid SCHEMBL78386 0.68 LMNA (0.40) LMNAPOLBALDH1A1SMN1; SMN2USP2
SCHEMBL12533448 0.68 LMNA (0.40) LMNAPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL15269924 0.67 LMNA (0.46) LMNAPOLBALDH1A1SMN1; SMN2USP2
SCHEMBL18609254 0.67 LMNA (0.46) LMNAPOLBALDH1A1SMN1; SMN2USP2
SCHEMBL7195828 0.67

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-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed