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Sugi Predict / Compounds / SCHEMBL3913701

SCHEMBL3913701

SCHEMBL3913701

CC(=O)c1ccc2ccc(N(CC=CCl)C(=O)OC(C)(C)C)c(Br)c2c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CRHR1 P34998 1/20 0.30

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
SCHEMBL3846549 1.00 ALDH1A1 (0.32) ALDH1A1MAPTHPGDCRHR1
SCHEMBL3562268 0.90 NQO2 (0.35) ALDH1A1MAPTHPGD
SCHEMBL3562270 0.90 NQO2 (0.35) ALDH1A1MAPTHPGD
SCHEMBL2400850 0.85 SMN1; SMN2 (0.40) MAPTHPGD
SCHEMBL3851116 0.85 SMN1; SMN2 (0.40) MAPTHPGD
SCHEMBL3559269 0.84 NCEH1 (0.39) —
SCHEMBL3566608 0.84 NQO2 (0.35) ALDH1A1
SCHEMBL3566612 0.84 NQO2 (0.35) ALDH1A1
SCHEMBL3559265 0.84 NCEH1 (0.39) —
SCHEMBL3568300 0.83 LCK (0.39) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809603-A4 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LTD (NZ) 2009-09-02 — — EP disclosed
EP-1809603-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2007-07-25 — — EP disclosed
WO-2006043839-A1 NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2006-04-27 — — WO disclosed