SCHEMBL8992195

SCHEMBL8992195

N#CC(C#N)=C(c1ccccc1)c1ccc(N2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
ALDH1A1 P00352 7/20 0.58
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
HPGD P15428 4/20 0.58
LMNA P02545 3/20 0.58
TP53 P04637 3/20 0.58
TSHR P16473 3/20 0.58
HSD17B10 Q99714 3/20 0.58
ALOX15 P16050 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
STAT1 P42224 1/20 0.58
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
USP2 O75604 1/20 0.46

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
SCHEMBL134312 0.78 ALDH1A1 (0.52) MAPTALDH1A1RAB9AHPGDLMNA
SCHEMBL8992111 0.78 MAPT (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28836584 0.75 MAPT (0.49) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL611868 0.74 MAPT (0.68) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14982061 0.74 NPC1 (1.00) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14964917 0.74 ALDH1A1 (0.80) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14964918 0.74 ALDH1A1 (0.80) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14964781 0.73 ALDH1A1 (0.78) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14965063 0.73 ALDH1A1 (0.78) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14964780 0.73 ALDH1A1 (0.78) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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