Sugi Predict

Sugi Predict / Compounds / SCHEMBL13580842

SCHEMBL13580842

SCHEMBL13580842

Bc1ccc(/N=N/C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c(-c2cc(Br)ccc2/N=N/C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32

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
SCHEMBL13580428 0.93 NPC1 (0.36) NPC1KMT2AATMGPR35
SCHEMBL18877735 0.83 NPC1 (0.36) NPC1KMT2AATMGPR35
SCHEMBL13580349 0.81 NPC1 (0.33) NPC1KMT2AATMGPR35
SCHEMBL13580424 0.78 NPC1 (0.36) NPC1KMT2AATMGPR35
SCHEMBL13580312 0.76 NPC1 (0.36) NPC1KMT2AATMGPR35
SCHEMBL13580421 0.75 SMN1; SMN2 (0.36) NPC1KMT2AATMGPR35
SCHEMBL13580425 0.75 PTPRC (0.40) NPC1KMT2AATMGPR35
SCHEMBL13580416 0.75 SMN1; SMN2 (0.44) NPC1KMT2AATMGPR35
SCHEMBL15893569 0.75 CYP2D6 (0.36) NPC1KMT2AATMGPR35
SCHEMBL13580306 0.74 NPC1 (0.34) NPC1KMT2AATMGPR35

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-20090317733-A1 Quinone Compound, Electrophotographic Photoconductor and Electrophotographic Apparatus FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) 2009-12-24 — — US disclosed
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