SCHEMBL433575

SCHEMBL433575

COC(=O)c1cccc(Cn2c(=O)oc3ccc(C4(C(=O)NCC(c5cccc(O)c5)N5CCCC5)C=C4)cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 7/20 0.46
▸ CD74 P04233 3/20 0.44
▸ TP53 P04637 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ ABHD6 Q9BV23 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL433211 0.79 MIF (0.46) MIFCD74TP53MAPTPOLB
SCHEMBL433212 0.79 MIF (0.46) MIFCD74TP53MAPTPOLB
SCHEMBL435180 0.75 MIF (0.43) MIFCD74TP53MAPTPOLB
SCHEMBL435181 0.75 MIF (0.43) MIFCD74TP53MAPTPOLB
SCHEMBL10083366 0.74 MAPT (0.41) MIFCD74TP53MAPTPOLB
SCHEMBL15380476 0.71 MIF (0.44) MIFCD74TP53MAPTPOLB
SCHEMBL16412546 0.70 MIF (0.44) MIFCD74TP53MAPTPOLB
SCHEMBL16413040 0.70 MIF (0.44) MIFCD74TP53MAPTPOLB
SCHEMBL16421403 0.70 MIF (0.57) MIFCD74TP53MAPTPOLB
SCHEMBL16419129 0.70 MIF (0.57) MIFCD74TP53MAPTPOLB

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-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 — — WO disclosed
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