SCHEMBL14101344

SCHEMBL14101344

CCCCN(CCCC)c1nc2c(C)cccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 7/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ GAA P10253 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ RAD52 P43351 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ PAX8 Q06710 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 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
SCHEMBL14140739 0.81 PDE4A (0.40) ALDH1A1MAPTPDE4APDE4BPDE4C
SCHEMBL29378932 0.81 ALDH1A1 (0.47) ALDH1A1MAPTGAASMN1; SMN2HTT
Bromide SCHEMBL11839601 0.74 ALDH1A1 (0.56) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL1820509 0.72 ALDH1A1 (0.40) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL5677925 0.71 NPC1 (0.52) ALDH1A1GAASMN1; SMN2KDM4ELMNA
SCHEMBL18160553 0.70 ELANE (0.39) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL26463309 0.70 HTR2C (0.46) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL805050 0.69 ALDH1A1 (0.58) ALDH1A1MAPTGAAHTTMAPK1
SCHEMBL1509334 0.68 ELANE (0.35) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL22390022 0.68 ELANE (0.45) ALDH1A1LMNANPSR1MEN1KMT2A

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
US-7399569-B2 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJIFILM CORPORATION (JP) 2008-07-15 — — US disclosed
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