SCHEMBL21580484

SCHEMBL21580484

CC(C)NC(C)C(C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL104638 0.77
SCHEMBL9963357 0.77
SCHEMBL10315768 0.77
SCHEMBL15132744 0.76 TDP1 (0.64) TDP1
Hydrochloric Acid SCHEMBL5508249 0.74 TDP1 (0.50) TDP1
SCHEMBL25907409 0.71 TDP1 (0.47) TDP1
SCHEMBL19531760 0.71 TDP1 (0.47) TDP1
SCHEMBL25907405 0.71 TDP1 (0.47) TDP1
SCHEMBL19729482 0.69 TDP1 (0.44) TDP1
SCHEMBL23921698 0.67 TDP1 (0.41) 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
WO-2019224340-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2019-11-28 WO disclosed