SCHEMBL7214832

SCHEMBL7214832

CCCCC(C#N)=CC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.47
LMNA P02545 7/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAOB P27338 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 2/20 0.38
EGFR P00533 1/20 0.38
HDAC3 O15379 1/20 0.38
POLB P06746 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
SCHEMBL4078927 0.84 MCL1 (0.51) MCL1LMNAKDM4EALDH1A1MAPT
SCHEMBL20143067 0.81 LMNA (0.49) MCL1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL28752642 0.76 LMNA (0.55) MCL1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL30481108 0.76 LMNA (0.55) MCL1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL674327 0.75 MCL1 (0.53) MCL1LMNAKDM4EALDH1A1MAPT
SCHEMBL2380962 0.75 KDM4E (0.48) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL28752643 0.75 TDP1 (0.56) MCL1LMNAALDH1A1TDP1EGFR
SCHEMBL23934240 0.74 GRIK1 (0.55) MCL1LMNAKDM4EALDH1A1MAPT
SCHEMBL375312 0.74 GRIK1 (0.55) MCL1LMNAKDM4EALDH1A1MAPT
SCHEMBL83957 0.72 MCL1 (0.56) MCL1LMNAKDM4EALDH1A1MAPT

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-6617386-B2 For the exterior of a building or structure; textured finish DRYVIT SYSTEMS, INC. 2003-09-09 US disclosed
US-20030055147-A1 For the exterior of a building or structure; textured finish DRYVIT SYSTEMS, INC. 2003-03-20 US disclosed