SCHEMBL22197166

SCHEMBL22197166

N#C/C(C(=O)O)=C(/C#N)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
DHODH Q02127 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
HAO1 Q9UJM8 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
PTPN1 P18031 1/20 0.42
GSK3B P49841 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 3/20 0.41
CDC25B P30305 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL15988463 0.81 CPT1B (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL11640891 0.81 SMN1; SMN2 (0.53) DHODHSMN1; SMN2MAPTERCC5FEN1
SCHEMBL11640894 0.81 SMN1; SMN2 (0.53) DHODHSMN1; SMN2MAPTERCC5FEN1
SCHEMBL3897470 0.76 MEN1 (0.42) CYP1A2CYP2C9CYP2C19DHODHMAPT
SCHEMBL3897466 0.76 MEN1 (0.42) CYP1A2CYP2C9CYP2C19DHODHMAPT
SCHEMBL22197168 0.76 ALDH1A1 (0.45) DHODHSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL10921205 0.75 SMN1; SMN2 (0.54) CYP1A2DHODHSMN1; SMN2MAPTERCC5
SCHEMBL23227138 0.73 MEN1 (0.69) CYP1A2CYP2C9CYP2C19DHODHRAB9A
SCHEMBL15996313 0.72 MAPT (0.60) DHODHSMN1; SMN2MAPTERCC5FEN1
Ethylene SCHEMBL28481468 0.72 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19DHODHMAPT

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-20200325363-A1 ADHESIVE COMPOSITION INCLUDING AT LEAST TWO TYPES OF DYES, ADHESIVE SHEET, AND DISPLAY DEVICE INCLUDING SAME LMS CO., LTD. (KR) 2020-10-15 US disclosed
US-20200216721-A1 ADHESIVE SHEET HAVING EXCELLENT ULTRAVIOLET BLOCKING FUNCTION, ADHESIVE COMPOSITION, AND DISPLAY DEVICE COMPRISING SAME LMS CO., LTD. (KR) 2020-07-09 US disclosed