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Sugi Predict / Compounds / SCHEMBL19983096

SCHEMBL19983096

SCHEMBL19983096

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1cccnc1F)C(=O)CN(N)/N=C\N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.42
▸ ATM Q13315 2/20 0.42
▸ NPSR1 Q6W5P4 9/20 0.41
▸ MAPT P10636 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ POLB P06746 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40

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
SCHEMBL19983280 0.85 TDP1 (0.48) TDP1ATMNPSR1MAPTMEN1
SCHEMBL19983330 0.84 CTSL (0.43) TDP1ATMNPSR1MAPTMEN1
SCHEMBL19982954 0.82 TDP1 (0.53) TDP1ATMNPSR1MAPTMEN1
SCHEMBL19983037 0.81 TDP1 (0.45) TDP1ATMNPSR1MAPTMEN1
SCHEMBL19983097 0.78 TDP1 (0.44) TDP1ATMNPSR1MAPTMEN1
SCHEMBL19983060 0.78 CTSL (0.49) TDP1ATMNPSR1MAPTMEN1
SCHEMBL19983226 0.74 TDP1 (0.48) TDP1ATMNPSR1MAPTMEN1
SCHEMBL19983029 0.73 TDP1 (0.43) TDP1ATMNPSR1MAPTMEN1
SCHEMBL19983072 0.72 TDP1 (0.53) TDP1ATMNPSR1MAPTMEN1
SCHEMBL19983337 0.71 CTSL (0.43) TDP1ATMNPSR1MAPTMEN1

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-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 — — WO disclosed