SCHEMBL9324932

SCHEMBL9324932

Cc1nc2c(C(=O)OC(=O)c3c(C(=O)O)ccc4[nH]c(C)nc34)c(C(=O)O)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 17/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ADRB2 P07550 1/20 0.38

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
SCHEMBL8952768 0.88 DHODH (0.51) DHODHPARP1HSP90AA1ESR2TDP1
SCHEMBL8953009 0.81 PARP1 (0.47) DHODHPARP1ADRB2
SCHEMBL7219784 0.75 DHODH (0.48) DHODHPARP1HSP90AA1ESR2TDP1
SCHEMBL13544493 0.74 PARP1 (0.45) DHODHPARP1HSP90AA1ESR2TDP1
SCHEMBL1298127 0.73 PARP1 (0.73) DHODHPARP1
SCHEMBL9114247 0.73 PARP1 (0.43) PARP1
SCHEMBL7421982 0.72 PARP1 (0.47) DHODHPARP1TDP1ADRB2
SCHEMBL24744902 0.71 PARP1 (0.42) DHODHPARP1ADRB2
SCHEMBL1080091 0.71 PARP1 (0.42) DHODHPARP1ADRB2
SCHEMBL9488821 0.71 CA12 (0.36) TDP1

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-5300479-A Pre-and postemergence herbicides AMERICAN CYANAMID COMPANY (US) 1994-04-05 — — US disclosed
Send feedback