SCHEMBL9038430

SCHEMBL9038430

CCCCCCCCCCCCCCCCn1cnc2cc(C)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
NR1I2 O75469 2/20 0.58
MAPT P10636 7/20 0.53
HSD17B10 Q99714 2/20 0.53
TLR8 Q9NR97 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
FGFR1 P11362 1/20 0.44
CHRNA1 P02708 1/20 0.44

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
SCHEMBL9041559 1.00 LMNA (0.59) LMNANR1I2MAPTHSD17B10TLR8
SCHEMBL9853306 1.00 LMNA (0.59) LMNANR1I2MAPTHSD17B10TLR8
SCHEMBL18250739 1.00 LMNA (0.59) LMNANR1I2MAPTHSD17B10TLR8
SCHEMBL9853312 1.00 LMNA (0.59) LMNANR1I2MAPTHSD17B10TLR8
SCHEMBL19911314 0.94 LMNA (0.67) LMNANR1I2MAPTHSD17B10TLR8
SCHEMBL21378150 0.94 MAPT (0.58) LMNANR1I2MAPTHSD17B10SMN1; SMN2
SCHEMBL18250720 0.88 LMNA (0.59) LMNANR1I2MAPTHSD17B10TLR8
SCHEMBL31066861 0.88 LMNA (0.59) LMNANR1I2MAPTHSD17B10TLR8
SCHEMBL19296053 0.87 LMNA (0.53) LMNAMAPTHSD17B10SMN1; SMN2HPGD
SCHEMBL19911329 0.86 LMNA (0.48) LMNANR1I2MAPTHSD17B10TLR8

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-0262343-B1 N-alkylated quaternary nitrogen-containing heterocycles, process for their preparation and their use in pharmaceutical compositions PUETTER MEDICE CHEM PHARM (DE) 1996-01-03 EP disclosed