SCHEMBL8533970

SCHEMBL8533970

O=C(OCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
RAB9A P51151 2/20 0.52
AKR1C3 P42330 1/20 0.51
MAOB P27338 2/20 0.51
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
HTR2A P28223 1/20 0.49
GAA P10253 1/20 0.48
MAOA P21397 1/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9976430 0.84 ALDH1A1 (0.55) IDO1RAB9AAKR1C3MAOBALDH1A1
SCHEMBL10465087 0.83 ALDH1A1 (0.54) IDO1RAB9AAKR1C3MAOBALDH1A1
SCHEMBL11540661 0.83 ALDH1A1 (0.54) IDO1RAB9AAKR1C3MAOBALDH1A1
SCHEMBL158920 0.81 IDO1 (0.58) IDO1RAB9AAKR1C3MAOBALDH1A1
SCHEMBL8940532 0.81 MAOB (0.52) IDO1RAB9AAKR1C3MAOBALDH1A1
SCHEMBL37664 0.81 HTR2A (0.62) IDO1RAB9AAKR1C3MAOBALDH1A1
SCHEMBL26163159 0.80 RAB9A (0.49) IDO1RAB9AAKR1C3MAOBALDH1A1
SCHEMBL2234344 0.80 HTR2A (0.52) IDO1RAB9AAKR1C3MAOBALDH1A1
SCHEMBL11685218 0.80 RAB9A (0.49) IDO1RAB9AAKR1C3MAOBALDH1A1
SCHEMBL6399778 0.80 IDO1 (0.59) IDO1RAB9AAKR1C3MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0504612-B1 Novel 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID CO (US) 1998-01-21 EP disclosed
US-5700930-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1997-12-23 US disclosed
US-5656753-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1997-08-12 US disclosed
US-5371215-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1994-12-06 US disclosed
US-5189158-A 4-SUBSTITUTED AZETIDINONES AS PRECURSORS TO 2-SUBSTITUTED-3-CARBOXY CARBAPENEM ANTIBIOTICS AND A METHOD OF PRODUCING THEM AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed
EP-0504612-A2 Novel 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1992-09-23 EP disclosed