SCHEMBL9518858

SCHEMBL9518858

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CSc2nncs2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
CCR5 P51681 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 3/20 0.31
ATM Q13315 1/20 0.31
NPC1 O15118 1/20 0.31
GRIN2B Q13224 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 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
SCHEMBL9522437 0.85 TDP1 (0.35) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL9518928 0.85 TDP1 (0.35) ALDH1A1MAPTHPGDTDP1L3MBTL1
SCHEMBL9519261 0.84 ALDH1A1 (0.36) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL9790271 0.84 ALDH1A1 (0.36) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8922233 0.84 ALDH1A1 (0.38) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8691844 0.84 ALDH1A1 (0.38) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL9519325 0.84 ALDH1A1 (0.38) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL9519450 0.83 ALDH1A1 (0.36) ALDH1A1MAPTHPGDCCR5ATM
SCHEMBL8693099 0.83 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL8923969 0.83 ALDH1A1 (0.37) ALDH1A1MAPTHPGDCCR5TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280771-B1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 EP disclosed
US-5061804-A 3-thiopyrrolidine as chemical intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4963543-A BACTERICIDES, TREATING INFECTIOUS DISEASES; THIENAMYCINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-16 US disclosed
EP-0280771-A1 3-Pyrrolidinylthio-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid derivatives and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 EP disclosed