SCHEMBL6165445

SCHEMBL6165445

Nc1cccc(C(=O)c2ccc(C#Cc3ccccc3)cc2)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
GAA P10253 1/20 0.54
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
ADORA1 P30542 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL29786713 0.85 MAPT (0.74) MAPTGAAABCB11LMNAPTGS1
Benzene SCHEMBL28303083 0.85 MAPT (0.74) MAPTGAAABCB11LMNAPTGS1
SCHEMBL112508 0.85 MAPT (0.74) MAPTGAAABCB11LMNAPTGS1
SCHEMBL28282156 0.83 MAPT (0.71) MAPTGAAABCB11LMNAPTGS1
SCHEMBL8586971 0.80 MAPT (0.46) MAPTGAANPC1RAB9AALDH1A1
SCHEMBL9706058 0.80 GAA (0.55) MAPTGAAABCB11LMNAPTGS1
SCHEMBL8586968 0.80 MAPT (0.49) MAPTGAANPC1RAB9AALDH1A1
SCHEMBL9737659 0.78 LIG1 (0.56) MAPTGAARAB9AABCB11LMNA
SCHEMBL14124710 0.78 AKR1C3 (0.68) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL29041025 0.78 MAPT (0.62) MAPTGAANPC1LMNAALDH1A1

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-0842212-B1 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NASA (US) 2005-02-16 EP disclosed