SCHEMBL4079761

SCHEMBL4079761

Cc1cc(C=O)ccc1N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 1.00
ALDH1A3 P47895 6/20 1.00
SMN1; SMN2 Q16637 5/20 0.65
MAPT P10636 9/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
HTT P42858 2/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
POLB P06746 1/20 0.56
TNNI3 P19429 1/20 0.56
MAPK1 P28482 1/20 0.56
TNNT2 P45379 1/20 0.56
TNNC1 P63316 1/20 0.56
GAA P10253 3/20 0.54
THRB P10828 1/20 0.54
NR4A1 P22736 1/20 0.54

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
SCHEMBL15339337 0.98 ALDH1A3 (1.00) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL25487219 0.87 ALDH1A1 (0.77) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL16464268 0.85 ALDH1A1 (0.73) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL3550809 0.83 ALDH1A1 (0.71) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL4941255 0.82 ALDH1A1 (0.68) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL18519816 0.80 ALDH1A3 (1.00) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL29417647 0.80 ALDH1A3 (1.00) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL18519882 0.79 ALDH1A1 (0.66) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL15094164 0.79 ALDH1A1 (1.00) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1
SCHEMBL11305457 0.79 ALDH1A3 (0.96) ALDH1A1ALDH1A3SMN1; SMN2MAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629168-B2 Benzoxazoles and oxazolopyridines being useful as janus kinases inhibitors NOVARTIS AG (CH) 2014-01-14 US claimed
WO-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed