SCHEMBL6528290

SCHEMBL6528290

O=Cc1ccc(C#CCn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
PTGER4 P35408 4/20 0.38
TSPO P30536 2/20 0.36
DNM1 Q05193 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
DNMT1 P26358 1/20 0.33
JAK3 P52333 1/20 0.33
KRAS P01116 1/20 0.33
P2RX3 P56373 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6509090 0.80 PTGER4 (0.44) PTGER4TSPOALDH1A1
SCHEMBL6507697 0.80 PIM1 (0.53)
SCHEMBL16066019 0.73 PTGER4 (0.68) MAPTPTGER4TSPODNM1SMN1; SMN2
SCHEMBL30061939 0.73 PTGER4 (0.68) MAPTPTGER4TSPODNM1SMN1; SMN2
SCHEMBL13158817 0.70 ALDH1A1 (0.40) MAPTPTGER4SMN1; SMN2JAK3ALDH1A1
SCHEMBL29392880 0.70 ALDH1A1 (0.40) MAPTPTGER4SMN1; SMN2JAK3ALDH1A1
SCHEMBL29178204 0.70 CYP2A6 (0.41) ALDH1A1
SCHEMBL17515011 0.68 ALDH1A1 (0.42) MAPTPTGER4SMN1; SMN2JAK3ALDH1A1
SCHEMBL10670569 0.68 TSPO (0.50) MAPTPTGER4TSPODNM1SMN1; SMN2
SCHEMBL14689815 0.68 MAPT (0.50) MAPTTSPODNM1SMN1; SMN2SIGMAR1

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-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed