SCHEMBL9820339

SCHEMBL9820339

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

nearest known ligand 0.56

Predicted protein targets (top 9)

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
HTT P42858 2/20 0.49
HTR2A P28223 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAOA P21397 1/20 0.47
MAPT P10636 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
SCHEMBL8716892 0.85 RAB9A (0.61) IDO1RAB9AAKR1C3ALDH1A1MAPT
SCHEMBL4726351 0.85 IDO1 (0.54) IDO1RAB9AAKR1C3MAOBHTT
SCHEMBL10465292 0.85 MAOB (0.56) IDO1RAB9AAKR1C3MAOBHTT
SCHEMBL11099610 0.85 IDO1 (0.58) IDO1RAB9AAKR1C3MAOBHTT
SCHEMBL3861179 0.84 MEN1 (0.55) IDO1RAB9AAKR1C3MAOBHTT
SCHEMBL11255725 0.84 HTT (0.56) IDO1RAB9AAKR1C3MAOBHTT
SCHEMBL10569487 0.84 ACHE (0.58) IDO1RAB9AAKR1C3MAOBHTT
SCHEMBL11419632 0.83 IDO1 (0.56) IDO1RAB9AAKR1C3MAOBHTT
SCHEMBL11685218 0.83 RAB9A (0.49) IDO1RAB9AAKR1C3MAOBHTT
SCHEMBL5445040 0.83 MAOB (0.54) IDO1RAB9AAKR1C3MAOBHTT

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 11 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
US-4772597-A ANTIBIOTICS PFIZER INC. (US) 1988-09-20 US 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
EP-0212404-A1 7-oxo-4-thia-1-azabicyclo [3.2.0] hept-2-ene derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 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-0130025-A1 2-Alkylthiopenem derivatives PFIZER INC. (US) 1985-01-02 EP disclosed