SCHEMBL9820376

SCHEMBL9820376

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
RAB9A P51151 2/20 0.55
HTR2A P28223 1/20 0.55
AKR1C3 P42330 1/20 0.54
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAOB P27338 1/20 0.50
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL9782567 0.90 IDO1 (0.56) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL6481479 0.88 IDO1 (0.58) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL29171050 0.87 HTR2A (0.59) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL11206285 0.87 IDO1 (0.53) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL11658704 0.85 IDO1 (0.51) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL8247254 0.85 HTR2A (0.60) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL37664 0.84 HTR2A (0.62) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL37665 0.82 AKR1C3 (0.62) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL6399778 0.82 IDO1 (0.59) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL9670638 0.82 IDO1 (0.56) IDO1RAB9AHTR2AAKR1C3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260042-B1 2-(1-OXO-1-IMINO-1-THIACYCLOALKYL)-THIOPENEM DERIVATIVES PFIZER INC. (US) 1991-12-27 EP disclosed
EP-0138539-B1 2-AZACYCLOALKYLTHIOPENEM DERIVATIVES PFIZER INC. (US) 1989-03-15 EP disclosed
EP-0138538-B1 2-DIOXACYCLOALKYLTHIOPENEM DERIVATIVES PFIZER INC. (US) 1988-12-14 EP disclosed
EP-0260042-A1 2-(1-Oxo-1-imino-1-thiacycloalkyl)-Thiopenem derivatives PFIZER INC. (US) 1988-03-16 EP disclosed
EP-0130025-B1 2-ALKYLTHIOPENEM DERIVATIVES PFIZER INC. (US) 1987-07-08 EP disclosed
US-4619924-A BACTERICIDES PFIZER INC. (US) 1986-10-28 US disclosed
US-4614737-A ANTIBIOTICS PFIZER INC. (US) 1986-09-30 US disclosed
EP-0138539-A1 2-Azacycloalkylthiopenem derivatives PFIZER INC. (US) 1985-04-24 EP disclosed
EP-0132101-A1 2-Heterocycloalkylthiopenem derivatives PFIZER INC. (US) 1985-01-23 EP disclosed
EP-0130025-A1 2-Alkylthiopenem derivatives PFIZER INC. (US) 1985-01-02 EP disclosed