SCHEMBL2146290

SCHEMBL2146290

O=C([C@H]1CCN(OC(=O)C(F)(F)F)C1)N1CCC(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NOTUM Q6P988 3/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
MAPK1 P28482 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.31
EPHX2 P34913 1/20 0.31
POLB P06746 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
SCHEMBL2146346 0.88 HPGD (0.49) HPGDSMN1; SMN2NOTUMALDH1A1TSHR
SCHEMBL28214294 0.80 DPP4 (0.34)
SCHEMBL23779158 0.78 GAA (0.37) SMN1; SMN2ALDH1A1LMNAHSD17B10MAPK1
SCHEMBL26599493 0.74 NOTUM (0.41) SMN1; SMN2NOTUMALDH1A1CHRNB2CHRNA3
SCHEMBL28878334 0.74 HPGD (0.54) RECQLHPGDSMN1; SMN2NOTUMALDH1A1
SCHEMBL28210822 0.74 HRH4 (0.30)
SCHEMBL1609526 0.73 EPHX2 (0.39) ALDH1A1LMNAMAPK1EPHX2
SCHEMBL2895470 0.73 DPP4 (0.31)
SCHEMBL25341666 0.71
SCHEMBL6209477 0.71 SMN1; SMN2 (0.49) HPGDSMN1; SMN2ALDH1A1TSHRHSD17B10

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