SCHEMBL2226887

SCHEMBL2226887

C=CC(CC#N)NC(CC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ PBRM1 Q86U86 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ASPH Q12797 1/20 0.34
▸ KDM8 Q8N371 1/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CTSC P53634 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 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
SCHEMBL2226758 0.83 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1PBRM1LMNAHPGD
SCHEMBL2229030 0.79 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1PBRM1KDM4ELMNA
SCHEMBL2230343 0.74 PBRM1 (0.37) ALDH1A1PBRM1KDM4ELMNAHSD17B10
SCHEMBL2230290 0.73 PBRM1 (0.36) ALDH1A1PBRM1KDM4ELMNAHSD17B10
SCHEMBL27855219 0.72 TDP1 (0.36) SMN1; SMN2ALDH1A1PBRM1KDM4ELMNA
SCHEMBL2847032 0.72 LMNA (0.52) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL27855263 0.70 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EHSD17B10HPGDTSHR
SCHEMBL3447974 0.70 MIF (0.43) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL27855255 0.69 TSHR (0.33) TSHR
SCHEMBL2229704 0.69 MAPT (0.35) SMN1; SMN2ALDH1A1LMNAMAPTHTT

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-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 — — WO disclosed
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