SCHEMBL9807477

SCHEMBL9807477

CCCCCCN(CCCO)c1ccc(C=Cc2ccncc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
HBB P68871 1/20 0.46
INSR P06213 2/20 0.43
ATG4B Q9Y4P1 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
KDM4A O75164 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40

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
SCHEMBL9804611 0.93 NPC1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10340969 0.93 NPC1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8811324 0.93 NPC1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8812843 0.93 NPC1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10340938 0.93 NPC1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8812511 0.93 NPC1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL10340968 0.93 NPC1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8812516 0.93 NPC1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8812840 0.93 NPC1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8811321 0.93 NPC1 (0.53) MAPTNPC1RAB9AMEN1KMT2A

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
EP-0427815-A1 HEMICYANINE MAIN-CHAIN POLYMERS MERCK PATENT GmbH (DE) 1991-05-22 EP disclosed
WO-1990013055-A1 HEMICYANINE MAIN-CHAIN POLYMERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-01 WO disclosed