SCHEMBL4750896

SCHEMBL4750896

C=Cc1cc2c([nH]1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.44
PDGFRB P09619 7/20 0.44
SRC P12931 6/20 0.44
FGFR1 P11362 4/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
APOBEC3G Q9HC16 1/20 0.41
RET P07949 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH4 Q9H3N8 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2468501 0.79 KDR (0.48) KDRPDGFRBSRCFGFR1ALDH1A1
SCHEMBL2559154 0.78 KDR (0.47) KDRPDGFRBSRCFGFR1ALDH1A1
SCHEMBL6444716 0.71 ALDH1A1 (0.50) KDRPDGFRBSRCFGFR1ALDH1A1
SCHEMBL7959781 0.67 ALDH1A1 (0.46) KDRPDGFRBSRCFGFR1ALDH1A1
SCHEMBL22396741 0.67 ALDH1A1 (0.50) KDRPDGFRBSRCFGFR1ALDH1A1
SCHEMBL21284842 0.65 ALDH1A1 (0.46) KDRPDGFRBSRCFGFR1ALDH1A1
SCHEMBL21040050 0.65 ALDH1A1 (0.46) KDRPDGFRBSRCFGFR1ALDH1A1
SCHEMBL21040048 0.65 ALDH1A1 (0.46) KDRPDGFRBSRCFGFR1ALDH1A1
SCHEMBL21040049 0.65 ALDH1A1 (0.46) KDRPDGFRBSRCFGFR1ALDH1A1
SCHEMBL19706853 0.65 ALDH1A1 (0.46) KDRPDGFRBSRCFGFR1ALDH1A1

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
WO-2008147246-A1 CATALYST FOR DEHYDROGENATION OF 4,5,6,7 TETRAHYDROINDOLE INTO INDOLE AND METHOD FOR PREPARING THEREOF A.E. FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY SIBERIAN BRANCH RUSSIAN ACADEMY OF SCIENCES (IRIH SB RAS) (RU) 2008-12-04 WO disclosed