SCHEMBL28645928

SCHEMBL28645928

CCCC(C#N)=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 5/20 0.42
POLB P06746 3/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLIN1 O60240 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL20143067 0.89 LMNA (0.49) MCL1LMNATDP1ALDH1A1POLB
SCHEMBL30481108 0.88 LMNA (0.55) MCL1LMNATDP1ALDH1A1POLB
SCHEMBL28752642 0.88 LMNA (0.55) MCL1LMNATDP1ALDH1A1POLB
SCHEMBL28752643 0.86 TDP1 (0.56) MCL1LMNATDP1ALDH1A1POLB
SCHEMBL14604980 0.85 MCL1 (0.50) MCL1LMNAALDH1A1POLBRAB9A
SCHEMBL18192045 0.85 MCL1 (0.50) MCL1LMNAALDH1A1POLBRAB9A
SCHEMBL10187523 0.85 MCL1 (0.50) MCL1LMNAALDH1A1POLBRAB9A
SCHEMBL4630811 0.82 MCL1 (0.52) MCL1LMNAALDH1A1POLBRAB9A
SCHEMBL4630806 0.82 MCL1 (0.52) MCL1LMNAALDH1A1POLBRAB9A
SCHEMBL11761398 0.77 MCL1 (0.55) MCL1LMNAALDH1A1POLBRAB9A

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
CN-110248971-B Copolymer and optical film using the same 东曹株式会社 2021-11-02 CN disclosed