SCHEMBL5483210

SCHEMBL5483210

SCCc1cccc(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.52
GPR84 Q9NQS5 1/20 0.45
IDO1 P14902 1/20 0.42
GGPS1 O95749 2/20 0.42
AOC3 Q16853 2/20 0.42
HTR7 P34969 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP19A1 P11511 1/20 0.42
MAOA P21397 3/20 0.42
MAOB P27338 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PRKCI P41743 1/20 0.41
BACE1 P56817 1/20 0.41
BCL2 P10415 1/20 0.41

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
SCHEMBL1129869 0.84 PRKCI (0.62) HRH3CYP11B1CYP11B2CYP19A1PRKCI
SCHEMBL21375425 0.82 IDO1 (0.59) AGXTIDO1GGPS1AOC3HRH3
SCHEMBL332301 0.81 MEN1 (0.48) IDO1CYP19A1MAOAMAOBTAAR1
SCHEMBL6267935 0.79 FFAR1 (0.54) AGXTIDO1HRH3TAAR1
SCHEMBL7365145 0.78 ALDH1A1 (0.65) AGXTGPR84GGPS1AOC3HRH3
SCHEMBL5865103 0.78 AGXT (0.52) AGXTGPR84GGPS1AOC3CYP11B1
SCHEMBL5865105 0.78 TDP1 (0.62) AGXTGPR84GGPS1AOC3HRH3
SCHEMBL11358683 0.78 TDP1 (0.62) AGXTGPR84GGPS1AOC3HTR7
SCHEMBL4533749 0.78 AGXT (0.52) AGXTGPR84GGPS1AOC3HTR7
SCHEMBL29618101 0.78 SIGMAR1 (0.52) AGXTMAOAMAOB

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
US-7220780-B2 Naaladase inhibitors for treating retinal disorders and glaucoma GUILFORD PHARMACEUTICALS INC. (US) 2007-05-22 US disclosed