SCHEMBL8992111

SCHEMBL8992111

N#CC(C#N)=C(C#N)c1ccc(N2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HPGD P15428 3/20 0.47
ALOX15 P16050 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
LMNA P02545 4/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
STAT1 P42224 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL28836584 0.79 MAPT (0.49) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8509845 0.79 MEN1 (0.42) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8992195 0.78 MAPT (0.58) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8722327 0.75 MAPKAPK2 (0.41) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10472733 0.72 ALDH1A1 (0.57) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10473961 0.71 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10472913 0.71 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2174173 0.71 ALDH1A1 (0.67) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15494488 0.70 EGFR (0.61) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8237227 0.69 ALDH1A1 (0.58) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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-5514799-A 1,1-vinyl substituted nonlinear optical materials ENICHEM S.P.A. (IT) 1996-05-07 US disclosed
EP-0637774-A1 1,1-Vinyl substituted nonlinear optical materials ENICHEM S.p.A. (IT) 1995-02-08 EP disclosed