SCHEMBL551022

SCHEMBL551022

O=C(Nc1ccc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)nc1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.46
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.41
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MERTK Q12866 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PDE7A Q13946 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SHMT2 P34897 1/20 0.37
FLT3 P36888 2/20 0.37
TYRO3 Q06418 2/20 0.37
GAS6 Q14393 2/20 0.37
DGAT1 O75907 1/20 0.37

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
SCHEMBL2700110 1.00 CRBN (0.46) CRBNPTPN1PTPN2ALDH1A1KMT2A
SCHEMBL549382 1.00 CRBN (0.46) CRBNPTPN1PTPN2ALDH1A1KMT2A
SCHEMBL551021 1.00 CRBN (0.46) CRBNPTPN1PTPN2ALDH1A1KMT2A
SCHEMBL2700111 1.00 CRBN (0.46) CRBNPTPN1PTPN2ALDH1A1KMT2A
SCHEMBL549383 1.00 CRBN (0.46) CRBNPTPN1PTPN2ALDH1A1KMT2A
SCHEMBL549563 0.99 CRBN (0.45) CRBNPTPN1PTPN2ALDH1A1KMT2A
SCHEMBL2700803 0.99 CRBN (0.45) CRBNPTPN1PTPN2ALDH1A1KMT2A
SCHEMBL2700802 0.99 CRBN (0.45) CRBNPTPN1PTPN2ALDH1A1KMT2A
SCHEMBL549564 0.99 CRBN (0.45) CRBNPTPN1PTPN2ALDH1A1KMT2A
SCHEMBL549327 0.99 CRBN (0.45) CRBNPTPN1PTPN2ALDH1A1KMT2A

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-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed