SCHEMBL22697160

SCHEMBL22697160

C=Cc1cccc(C=C(C)C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
MAPK1 P28482 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
MITF O75030 1/20 0.38
MDM2 Q00987 1/20 0.38
SLC9A1 P19634 1/20 0.36

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
SCHEMBL17466928 0.81 ALDH1A1 (0.54) TP53TDP1KDM4EALDH1A1MAPT
SCHEMBL5854212 0.81 TP53 (0.56) TP53TDP1ALDH1A1MAPTPTGS2
SCHEMBL26552237 0.80 GABRA1 (0.51) TP53TDP1GABRA1GABRG2GABRB3
SCHEMBL26552233 0.79 MAPT (0.54) MAPTMAPK1NPC1RAB9APTGS2
SCHEMBL762892 0.77 MCL1 (0.50) GABRA1GABRG2GABRB3KDM4EALDH1A1
SCHEMBL679854 0.77 MCL1 (0.50) GABRA1GABRG2GABRB3KDM4EALDH1A1
SCHEMBL5168254 0.77 MCL1 (0.50) GABRA1GABRG2GABRB3KDM4EALDH1A1
SCHEMBL23192677 0.76 MAPT (0.58) TP53TDP1KDM4EALDH1A1MAPT
SCHEMBL26447187 0.76 MAPT (0.39) GABRA1GABRG2GABRB3KDM4EALDH1A1
SCHEMBL26447174 0.76 GABRA1 (0.38) GABRA1GABRG2GABRB3KDM4EALDH1A1

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
EP-3172272-B1 MODIFIED HETEROPHASIC POLYOLEFIN COMPOSITION MILLIKEN & CO (US) 2020-11-25 EP disclosed