SCHEMBL9519145

SCHEMBL9519145

O=C(OCc1ccc([N+](=O)[O-])cc1)N1C[C@H](O)C[C@H]1CSc1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
F10 P00742 1/20 0.35
RAB9A P51151 1/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL9519437 0.91 MAPT (0.39) MAPTPOLBALDH1A1NPC1SMN1; SMN2
SCHEMBL7860417 0.86 CA2 (0.43) MAPTALDH1A1TDP1RAB9A
SCHEMBL9520047 0.84 ATM (0.39) MAPTPOLBALDH1A1NPC1SMN1; SMN2
SCHEMBL9790271 0.84 ALDH1A1 (0.36) MAPTPOLBALDH1A1NPC1SMN1; SMN2
SCHEMBL9519261 0.84 ALDH1A1 (0.36) MAPTPOLBALDH1A1NPC1SMN1; SMN2
SCHEMBL9518928 0.82 TDP1 (0.35) MAPTPOLBALDH1A1TDP1L3MBTL1
SCHEMBL10699078 0.82 TDP1 (0.39) MAPTPOLBALDH1A1NPC1TDP1
SCHEMBL9519619 0.82 TDP1 (0.39) MAPTPOLBALDH1A1TDP1ATM
SCHEMBL9520226 0.82 TDP1 (0.39) MAPTPOLBALDH1A1NPC1TDP1
SCHEMBL9520608 0.81 ALDH1A1 (0.40) MAPTPOLBALDH1A1SMN1; SMN2TDP1

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