SCHEMBL24701183

SCHEMBL24701183

CCCc1cccnc1CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.39
TKT P29401 2/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
CXCR4 P61073 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.34
NISCH Q9Y2I1 1/20 0.34

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
SCHEMBL9334644 0.88 L3MBTL1 (0.47) ALDH1A1L3MBTL1HSD17B10TKTCXCR4
SCHEMBL6562804 0.88 GRM5 (0.46) GRM5ALDH1A1L3MBTL1ADRA2AADRA2B
SCHEMBL5108741 0.87 L3MBTL1 (0.52) GRM5ALDH1A1L3MBTL1HSD17B10ADRA2A
SCHEMBL28490737 0.87 L3MBTL1 (0.42) ALDH1A1L3MBTL1HSD17B10TKTCXCR4
Ammonia Solution, Strong SCHEMBL27809045 0.86 GRM5 (0.45) GRM5ALDH1A1L3MBTL1ADRA2AADRA2B
Water SCHEMBL27859416 0.86 GRM5 (0.45) GRM5ALDH1A1L3MBTL1ADRA2AADRA2B
SCHEMBL5102711 0.83 L3MBTL1 (0.47) GRM5ALDH1A1L3MBTL1HSD17B10KDM4E
SCHEMBL13073704 0.83 GRM5 (0.43) GRM5ALDH1A1L3MBTL1ADRA2AADRA2B
SCHEMBL13964873 0.82 GRM5 (0.49) GRM5ALDH1A1L3MBTL1ADRA2AADRA2B
SCHEMBL21618225 0.82 L3MBTL1 (0.50) ALDH1A1L3MBTL1HSD17B10TKTCXCR4

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-4046988-A1 2-FORMYL-3-HYDROXYPHENYLOXYMETHYL COMPOUNDS CAPABLE OF MODULATING HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2022-08-24 EP disclosed