SCHEMBL9669589

SCHEMBL9669589

CC(C)(ON1C(=O)c2ccccc2C1=O)C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 6/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ F2 P00734 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ VDR P11473 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ XBP1 P17861 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL9425523 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL29565442 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL14698753 0.83 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL10542563 0.81 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL9143592 0.81 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL20570432 0.80 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL10851006 0.80 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL30660870 0.80 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9GAAMAPT
SCHEMBL14587496 0.78 CA12 (0.44) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL7850554 0.77 GAA (0.47) ALDH1A1CYP1A2CYP2C9GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0177940-B1 HYDRAZINE DERIVATIVES AND THEIR USE E.R. Squibb & Sons, Inc. (US) 1992-05-06 — — EP disclosed
US-5077432-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-12-31 — — US disclosed
US-5037983-A 6,7-dihydroxyquinoxalines as intermediates to beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1991-08-06 — — US disclosed
EP-0438752-A1 Monobactam hydrazides containing catechol sulfonic acid groups E.R. SQUIBB & SONS, INC. (US) 1991-07-31 — — EP disclosed
US-5030724-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-07-09 — — US disclosed
EP-0420069-A2 Heterocyclic hydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1991-04-03 — — EP disclosed
US-4904775-A Heteroaroylhydrazide derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1990-02-27 — — US disclosed
EP-0342423-A2 Heteroaroylhydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1989-11-23 — — EP disclosed
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