SCHEMBL9505777

SCHEMBL9505777

C=CCC(=O)Oc1ccc(-c2cnc(CC=C)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.34
THRB P10828 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DGAT1 O75907 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL6673551 0.76 HTT (0.39) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL9505073 0.74 SNCA (0.47) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL9501910 0.73 SMN1; SMN2 (0.38) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL9283080 0.71 ESR2 (0.41) MAPTKMT2AHTTHSD17B10ALDH1A1
SCHEMBL19764523 0.71 THRB (0.50) MAPTSMN1; SMN2KMT2AHTTTHRB
SCHEMBL10626800 0.70 KDM1A (0.40) HTTKDM4EALDH1A1HPGDGAA
SCHEMBL9280835 0.69 HTT (0.43) MAPTSMN1; SMN2KMT2AHTTTHRB
SCHEMBL8518197 0.69 HTT (0.58) SMN1; SMN2KMT2AHTTHSD17B10ALDH1A1
SCHEMBL8517632 0.68 HTT (0.43) MAPTSMN1; SMN2KMT2AHTTTHRB
Hydrochloric Acid SCHEMBL8517634 0.68 HTT (0.57) HTTHSD17B10ALDH1A1GAA

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-0260077-B1 PHENYL PYRIMIDINE COMPOUND AND LIQUID CRYSTALLINE COMPOSITION AJINOMOTO CO., INC. (JP) 1993-05-26 EP disclosed
EP-0244129-B1 OPTICALLY ACTIVE COMPOUND AND LIQUID CRYSTALLINE COMPOSITION AJINOMOTO CO., INC. (JP) 1992-11-11 EP disclosed
US-4892676-A FERROELECTRIC, HIGH SPEED RESPONSE AJINOMOTO CO., INC. (JP) 1990-01-09 US disclosed
US-4880561-A Optically active compound and liquid crystalline composition AJINOMOTO CO., INC. (JP) 1989-11-14 US disclosed