SCHEMBL6027448

SCHEMBL6027448

CCCCNC(Cl)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 2/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
GRM7 Q14831 1/20 0.42
PAX8 Q06710 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAAA Q02083 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 2/20 0.40
HRH1 P35367 2/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL29287521 0.93 NAAA (0.50) ALDH1A1POLBMAPTNAAAHTR2A
SCHEMBL1691960 0.93 NAAA (0.50) ALDH1A1POLBMAPTNAAAHTR2A
SCHEMBL29287520 0.93 NAAA (0.50) ALDH1A1POLBMAPTNAAAHTR2A
Hydrochloric Acid SCHEMBL6640848 0.86 SIGMAR1 (0.47) ALDH1A1POLBMAPTLMNAMTOR
SCHEMBL10384484 0.80 ALDH1A1 (0.80) ALDH1A1POLBMAPTLMNAMTOR
SCHEMBL3384080 0.78 CYP3A4 (0.63) ALDH1A1POLBMAPTLMNASMN1; SMN2
SCHEMBL13676409 0.78 CYP3A4 (0.63) ALDH1A1POLBMAPTLMNASMN1; SMN2
SCHEMBL24805208 0.77 ALDH1A1 (0.56) ALDH1A1POLBMAPTLMNAMTOR
SCHEMBL21647367 0.77 CDC25A (0.47) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL27501572 0.76 ALDH1A1 (0.45) ALDH1A1POLBLMNAMTORRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644722-A1 OPTIMIZED DETERMINATION OF VOLTAGE CHANGES USING A VOLTAGE-SENSITIVE DYE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2006-04-12 EP disclosed
WO-2005001448-A1 OPTIMIZED DETERMINATION OF VOLTAGE CHANGES USING A VOLTAGE-SENSITIVE DYE MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2005-01-06 WO disclosed
CN-1151780-C Solubility parameter based drug delivery system and method for altering drug saturation concentration 诺纹制药股份有限公司 2004-06-02 CN disclosed
CN-1088778-A Based on the drug delivery system of solubility parameters and the method for change medicine saturated concentration NOVEN PHARMA (US) 1994-07-06 CN disclosed